RefChem:94073
TL;DR: RefChem:94073 (CAS 19475-22-0) is a chemical compound with molecular formula C30H42Cl2N2O3 and molecular weight 548.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[bis(2-chloroethyl)amino]benzoate
Also Known As: Sid 737514, KST-1A2433, KST-1A2434, 3-((2-(Bis(2-chloroethyl)amino)benzoyl)oxy)-, (3beta,5alpha)-17a-aza-D-homoandrostan-17-one, [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[bis(2-chloroethyl)amino]benzoate
| Molecular Formula | C30H42Cl2N2O3 |
|---|---|
| Molecular Weight | 548.26 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 548.25726 |
| Heavy Atoms | 37 |
| Complexity | 836.0 |
Chemical Identifiers
| CAS Number | 19475-22-0 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)C5=CC=CC=C5N(CCCl)CCCl |
| InChIKey | ZHLHJJXYMZLGKL-QPNSFPETSA-N |
Product Overview
RefChem:94073 (CAS 19475-22-0), with molecular formula C30H42Cl2N2O3 and molecular weight 548.26 g/mol. IUPAC: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[bis(2-chloroethyl)amino]benzoate.
Chemical Property Profile of RefChem:94073
Property Insights of RefChem:94073
The XLogP value of 6.6 indicates that RefChem:94073 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, RefChem:94073 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:94073 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 RefChem:94073?
The CAS number of RefChem:94073 is 19475-22-0.
What is the molecular formula of RefChem:94073?
The molecular formula of RefChem:94073 is C30H42Cl2N2O3.
What is the molecular weight of RefChem:94073?
The molecular weight of RefChem:94073 is 548.26 g/mol.
Where can I buy RefChem:94073?
You can request a quote for RefChem:94073 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:94073?
Yes, KEHONG BIO provides custom synthesis services for RefChem:94073 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.