![11-[1-Hydroxy-2-(3-methylbutylamino)ethyl]-8-propan-2-yl-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione structure](/static/products/2650/2650855-99-3.webp)
11-[1-Hydroxy-2-(3-methylbutylamino)ethyl]-8-propan-2-yl-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione
TL;DR: 11-[1-Hydroxy-2-(3-methylbutylamino)ethyl]-8-propan-2-yl-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione (CAS 2650855-99-3) is a chemical compound with molecular formula C24H39N3O4 and molecular weight 433.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[1-Hydroxy-2-(3-methylbutylamino)ethyl]-8-propan-2-yl-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione
11-[1-hydroxy-2-(3-methylbutylamino)ethyl]-8-propan-2-yl-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione
Also Known As: 11-[1-Hydroxy-2-(3-methylbutylamino)ethyl]-8-propan-2-yl-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione, 11-{1-hydroxy-2-[(3-methylbutyl)amino]ethyl}-8-(propan-2-yl)-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione, 3-[1-hydroxy-2-(3-methylbutylamino)ethyl]-6-propan-2-yl-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-5,8-dione
| Molecular Formula | C24H39N3O4 |
|---|---|
| Molecular Weight | 433.29 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 99.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.29407 |
| Heavy Atoms | 31 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 2650855-99-3 |
|---|---|
| SMILES | CC(C)CCNCC(C1CC2=CC=C(C=C2)OCCCC(=O)NC(C(=O)N1)C(C)C)O |
| InChIKey | IUDJFSQFSQZRNP-UHFFFAOYSA-N |
Product Overview
11-[1-Hydroxy-2-(3-methylbutylamino)ethyl]-8-propan-2-yl-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione (CAS 2650855-99-3), with molecular formula C24H39N3O4 and molecular weight 433.29 g/mol. IUPAC: 11-[1-hydroxy-2-(3-methylbutylamino)ethyl]-8-propan-2-yl-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione.
Chemical Property Profile of 11-[1-Hydroxy-2-(3-methylbutylamino)ethyl]-8-propan-2-yl-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione
Property Insights of 11-[1-Hydroxy-2-(3-methylbutylamino)ethyl]-8-propan-2-yl-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-[1-Hydroxy-2-(3-methylbutylamino)ethyl]-8-propan-2-yl-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-[1-Hydroxy-2-(3-methylbutylamino)ethyl]-8-propan-2-yl-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-6,9-dione. Following Lipinski's Rule of Five, CTK6A7871 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK6A7871?
The CAS number of CTK6A7871 is 2650855-99-3.
What is the molecular formula of CTK6A7871?
The molecular formula of CTK6A7871 is C24H39N3O4.
What is the molecular weight of CTK6A7871?
The molecular weight of CTK6A7871 is 433.29 g/mol.
Where can I buy CTK6A7871?
You can request a quote for CTK6A7871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK6A7871?
Yes, KEHONG BIO provides custom synthesis services for CTK6A7871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.