CV 5197
TL;DR: CV 5197 (CAS 135818-22-3) is a chemical compound with molecular formula C24H31ClN2O4S and molecular weight 478.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-phenylpiperazin-1-yl)propyl 3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate;hydrochloride
Also Known As: CV 5197, 2-Methyl-3-hydroxy-4-(3-(4-phenyl-1-piperazinyl)propyl)-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylate hydrochloride, 3-(4-Phenylpiperazin-1-yl)propyl 3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate;hydrochloride, 2H-1,5-Benzoxathiepin-4-carboxylic acid, 2-Methyl-3-hydroxy-3,4-dihydro-, 4-(3-(4-phenyl-1-piperazinyl)propyl) ester, hydrochloride, 3-(4-phenylpiperazin-1-yl)propyl 3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate hydrochloride
| Molecular Formula | C24H31ClN2O4S |
|---|---|
| Molecular Weight | 478.17 g/mol |
| LogP | 3.4664 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.1693 |
| Heavy Atoms | 32 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 135818-22-3 |
|---|---|
| SMILES | CC1C(C(SC2=CC=CC=C2O1)C(=O)OCCCN3CCN(CC3)C4=CC=CC=C4)O.Cl |
| InChIKey | WDHZVZIXTUIJFF-UHFFFAOYSA-N |
Product Overview
CV 5197 (CAS 135818-22-3), with molecular formula C24H31ClN2O4S and molecular weight 478.17 g/mol. IUPAC: 3-(4-phenylpiperazin-1-yl)propyl 3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate;hydrochloride.
Chemical Property Profile of CV 5197
Property Insights of CV 5197
The XLogP value of 3.4664 indicates that CV 5197 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for CV 5197. Following Lipinski's Rule of Five, CV 5197 has 2 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 CV 5197?
The CAS number of CV 5197 is 135818-22-3.
What is the molecular formula of CV 5197?
The molecular formula of CV 5197 is C24H31ClN2O4S.
What is the molecular weight of CV 5197?
The molecular weight of CV 5197 is 478.17 g/mol.
Where can I buy CV 5197?
You can request a quote for CV 5197 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CV 5197?
Yes, KEHONG BIO provides custom synthesis services for CV 5197 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.