hydrochloride
TL;DR: hydrochloride (CAS 380593-96-4) is a chemical compound with molecular formula C22H24N2O5S and molecular weight 428.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: hydrochloride, BAS 03302623, 3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, F1260-1374, 3-hydroxy-5-(4-methoxyphenyl)-1-[2-(morpholin-4-yl)ethyl]-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C22H24N2O5S |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 2.6672 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.1406 |
| Heavy Atoms | 30 |
| Complexity | 932.9473 |
Chemical Identifiers
| CAS Number | 380593-96-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=CS4 |
Product Overview
hydrochloride (CAS 380593-96-4), with molecular formula C22H24N2O5S and molecular weight 428.14 g/mol. IUPAC: 4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of hydrochloride
Property Insights of hydrochloride
The XLogP value of 2.6672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for hydrochloride. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for hydrochloride. Following Lipinski's Rule of Five, hydrochloride has 1 hydrogen bond donor(s) and 7 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 hydrochloride?
The CAS number of hydrochloride is 380593-96-4.
What is the molecular formula of hydrochloride?
The molecular formula of hydrochloride is C22H24N2O5S.
What is the molecular weight of hydrochloride?
The molecular weight of hydrochloride is 428.14 g/mol.
Where can I buy hydrochloride?
You can request a quote for hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.