Azebcap
TL;DR: Azebcap (CAS 87777-66-0) is a chemical compound with molecular formula C30H36Cl2N2O3 and molecular weight 542.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS,4bR,10bS,12aS)-12a-methyl-2-oxo-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Also Known As: Azebcap, 4-Methyl-4-hepten-3-ol, [(4aS,4bR,10bS,12aS)-12a-methyl-2-oxo-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate, 17-Aza-homo-delta (1,3,5(10)) estratrien-3-ol-17-one-4-N,N-bis(2-chloroethyl)aminophenylacetate, 17a-Aza-D-homoestra-1,3,5(10)-trien-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-
| Molecular Formula | C30H36Cl2N2O3 |
|---|---|
| Molecular Weight | 542.21 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.2103 |
| Heavy Atoms | 37 |
| Complexity | 798.0 |
Chemical Identifiers
| CAS Number | 87777-66-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)N2)CCC4=C3C=CC(=C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl |
| InChIKey | HXQKYNPXQAHMAI-KWWFCQITSA-N |
Product Overview
Azebcap (CAS 87777-66-0), with molecular formula C30H36Cl2N2O3 and molecular weight 542.21 g/mol. IUPAC: [(4aS,4bR,10bS,12aS)-12a-methyl-2-oxo-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate.
Chemical Property Profile of Azebcap
Property Insights of Azebcap
The XLogP value of 5.8 indicates that Azebcap is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Azebcap exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azebcap has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Azebcap?
The CAS number of Azebcap is 87777-66-0.
What is the molecular formula of Azebcap?
The molecular formula of Azebcap is C30H36Cl2N2O3.
What is the molecular weight of Azebcap?
The molecular weight of Azebcap is 542.21 g/mol.
Where can I buy Azebcap?
You can request a quote for Azebcap directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azebcap?
Yes, KEHONG BIO provides custom synthesis services for Azebcap and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.