BCCHO
TL;DR: BCCHO (CAS 57194-38-4) is a chemical compound with molecular formula C31H42Cl2N2O3 and molecular weight 560.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Also Known As: BCCHO, 4'-Methoxy-3-methyl-benzophenon, KST-1A6145, KST-1A6146, P-bis(2-chloroethyl)aminophenylacetic acid, homo-aza-androstene ester
| Molecular Formula | C31H42Cl2N2O3 |
|---|---|
| Molecular Weight | 560.26 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 | 560.25726 |
| Heavy Atoms | 38 |
| Complexity | 898.0 |
Chemical Identifiers
| CAS Number | 57194-38-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl |
| InChIKey | REYWQKDXELGBMI-DIUBKPNJSA-N |
Product Overview
BCCHO (CAS 57194-38-4), with molecular formula C31H42Cl2N2O3 and molecular weight 560.26 g/mol. IUPAC: [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate.
Chemical Property Profile of BCCHO
Property Insights of BCCHO
The XLogP value of 5.8 indicates that BCCHO is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, BCCHO exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BCCHO 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 BCCHO?
The CAS number of BCCHO is 57194-38-4.
What is the molecular formula of BCCHO?
The molecular formula of BCCHO is C31H42Cl2N2O3.
What is the molecular weight of BCCHO?
The molecular weight of BCCHO is 560.26 g/mol.
Where can I buy BCCHO?
You can request a quote for BCCHO directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BCCHO?
Yes, KEHONG BIO provides custom synthesis services for BCCHO and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.