15-Bromosafracin A
TL;DR: 15-Bromosafracin A (CAS 16413-71-1) is a chemical compound with molecular formula C28H35BrN4O6 and molecular weight 602.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-[(16-bromo-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15,17,19-pentaen-10-yl)methyl]propanamide
Also Known As: 15-Bromosafracin A, 2-amino-N-[(16-bromo-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15,17,19-pentaen-10-yl)methyl]propanamide, n-[(4-bromo-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,7,9,10,13,14,14a,15-octahydro-5h-6,15-epiminoisoquino[3,2-b][3]benzazocin-9-yl)methyl]alaninamide, 2-Amino-N-[(4-bromo-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,7,9,10,13,14,14a,15-octahydro-5H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-9-yl)methyl]propanimidic acid, Propanamide, 2-amino-N-((4-bromo-6,7,9,10,13,14,14a,15-octahydro-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-
| Molecular Formula | C28H35BrN4O6 |
|---|---|
| Molecular Weight | 602.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 602.174 |
| Heavy Atoms | 39 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 16413-71-1 |
|---|---|
| SMILES | CC1=C(C(=C2C3C4CC5=C(C(N4CC(N3C)CC2=C1Br)CNC(=O)C(C)N)C(=O)C(=C(C5=O)C)OC)O)OC |
| InChIKey | KCBVEKKYTNDBOK-UHFFFAOYSA-N |
Product Overview
15-Bromosafracin A (CAS 16413-71-1), with molecular formula C28H35BrN4O6 and molecular weight 602.17 g/mol. IUPAC: 2-amino-N-[(16-bromo-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15,17,19-pentaen-10-yl)methyl]propanamide.
Chemical Property Profile of 15-Bromosafracin A
Property Insights of 15-Bromosafracin A
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 15-Bromosafracin A. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 15-Bromosafracin A. Following Lipinski's Rule of Five, 15-Bromosafracin A has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 15-Bromosafracin A?
The CAS number of 15-Bromosafracin A is 16413-71-1.
What is the molecular formula of 15-Bromosafracin A?
The molecular formula of 15-Bromosafracin A is C28H35BrN4O6.
What is the molecular weight of 15-Bromosafracin A?
The molecular weight of 15-Bromosafracin A is 602.17 g/mol.
Where can I buy 15-Bromosafracin A?
You can request a quote for 15-Bromosafracin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-Bromosafracin A?
Yes, KEHONG BIO provides custom synthesis services for 15-Bromosafracin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.