carpavirine
TL;DR: carpavirine (CAS 17952-72-6) is a chemical compound with molecular formula C16H19Cl2N3O2S and molecular weight 387.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate
Also Known As: carpavirine, 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-methoxycarbonylaminomethyl-1H-imidazole, methyl({5-[(3,5-dichlorophenyl)sulfanyl]-1-methyl-4-(1-methylethyl)-1h-imidazol-2-yl}methyl)carbamate, methyl ((5-((3,5-dichlorophenyl)thio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methyl)carbamate, Methyl hydrogen ({5-[(3,5-dichlorophenyl)sulfanyl]-1-methyl-4-(propan-2-yl)-1H-imidazol-2-yl}methyl)carbonimidate
| Molecular Formula | C16H19Cl2N3O2S |
|---|---|
| Molecular Weight | 387.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.0575 |
| Heavy Atoms | 24 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 17952-72-6 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)CNC(=O)OC)C)SC2=CC(=CC(=C2)Cl)Cl |
| InChIKey | MMBUIJQTOMFUHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
carpavirine (CAS 17952-72-6), with molecular formula C16H19Cl2N3O2S and molecular weight 387.06 g/mol. IUPAC: methyl N-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl]carbamate.
Chemical Property Profile of carpavirine
Property Insights of carpavirine
The XLogP value of 4.4 indicates that carpavirine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for carpavirine. Following Lipinski's Rule of Five, carpavirine has 1 hydrogen bond donor(s) and 4 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 carpavirine?
The CAS number of carpavirine is 17952-72-6.
What is the molecular formula of carpavirine?
The molecular formula of carpavirine is C16H19Cl2N3O2S.
What is the molecular weight of carpavirine?
The molecular weight of carpavirine is 387.06 g/mol.
Where can I buy carpavirine?
You can request a quote for carpavirine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for carpavirine?
Yes, KEHONG BIO provides custom synthesis services for carpavirine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.