RefChem:350572
TL;DR: RefChem:350572 (CAS 117125-41-4) is a chemical compound with molecular formula C19H22ClNO2S and molecular weight 363.106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2S)-2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylamino)propanoate;hydrochloride
Also Known As: Ethyl 2-(6,11-dihydrodibenzo(b,e)thiepin-11-ylamino)propionate hydrochloride, L-Alanine, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, ethyl ester, hydrochloride, ethyl (2S)-2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylamino)propanoate hydrochloride, Ethyl N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)-L-alaninate--hydrogen chloride (1/1), Ethyl N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)alaninate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C19H22ClNO2S |
| Molecular Weight | 363.106 g/mol |
| XLogP | 4.3447 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.106 Da |
| Heavy Atoms | 24 |
| Complexity | 403.0 |
| SMILES | CCOC(=O)[C@H](C)NC1C2=CC=CC=C2CSC3=CC=CC=C13.Cl |
| InChIKey | GBMRVLWVAULLIJ-UIHYYSMWSA-N |
Chemical Property Profile of RefChem:350572
Property Insights of RefChem:350572
The XLogP value of 4.3447 indicates that RefChem:350572 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:350572. Following Lipinski's Rule of Five, RefChem:350572 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:350572?
The CAS number of RefChem:350572 is 117125-41-4.
What is the molecular formula of RefChem:350572?
The molecular formula of RefChem:350572 is C19H22ClNO2S.
What is the molecular weight of RefChem:350572?
The molecular weight of RefChem:350572 is 363.106 g/mol.
Where can I buy RefChem:350572?
You can request a quote for RefChem:350572 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:350572?
Yes, CoreyChem provides custom synthesis services for RefChem:350572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.