![[4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate structure](/static/products/6972/69721-70-6.webp)
[4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate
TL;DR: [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate (CAS 69721-70-6) is a chemical compound with molecular formula C36H48N4O8 and molecular weight 664.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[4-[4-[3-acetamidopropyl(acetyl)amino]butyl]-15-acetyloxy-3,9-dioxo-4,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-2-yl]methyl]phenyl] acetate
Also Known As: [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate|Acetamide, N-[3-(acetylamino)propyl]-N-[4-[15-(acetyloxy)-2-[[4-(acetyloxy)phenyl]methyl]-3,9-dioxo-4,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]butyl]-|N(6),N(10),O(16),O(34)-Tetraacetyl-100,11,16,17-tetrahydro-10,11-seco-16,17-secoaphelandrine|4-(4-(Acetyl[3-(acetylamino)propyl]amino)butyl)-2-[4-(acetyloxy)benzyl]-3,9-dioxo-4,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-15-yl acetate #|4-(4-{acetyl[3-(acetylamino)propyl]amino}butyl)-2-[4-(acetyloxy)benzyl]-3,9-dioxo-4,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-15-yl acetate|4-{[4-{4-[N-(3-Acetamidopropyl)acetamido]butyl}-15-(acetyloxy)-3,9-dioxo-4,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-2-yl]methyl}phenyl acetate|XODFPPLZPPTIDK-UHFFFAOYSA-N
| Molecular Formula | C36H48N4O8 |
|---|---|
| Molecular Weight | 664.35 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 664.3472 |
| Heavy Atoms | 48 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 69721-70-6 |
|---|---|
| SMILES | CC(=O)NCCCN(CCCCN1CCCNC(=O)CCC2=CC(=C(C=C2)OC(=O)C)C(C1=O)CC3=CC=C(C=C3)OC(=O)C)C(=O)C |
| InChIKey | XODFPPLZPPTIDK-UHFFFAOYSA-N |
Product Overview
[4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate (CAS 69721-70-6), with molecular formula C36H48N4O8 and molecular weight 664.35 g/mol. IUPAC: [4-[[4-[4-[3-acetamidopropyl(acetyl)amino]butyl]-15-acetyloxy-3,9-dioxo-4,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-2-yl]methyl]phenyl] acetate.
Chemical Property Profile of [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate
Property Insights of [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate. The TPSA of 151.0 Ų indicates high polarity, suggesting [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate?
The CAS number of [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate is 69721-70-6.
What is the molecular formula of [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate?
The molecular formula of [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate is C36H48N4O8.
What is the molecular weight of [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate?
The molecular weight of [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate is 664.35 g/mol.
Where can I buy [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate?
You can request a quote for [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.