四氢哈尔酚
TL;DR: 四氢哈尔酚 (CAS 17952-75-9) is a chemical compound with molecular formula C20H20Cl2N4O2S and molecular weight 450.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四氢哈尔酚
[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methyl carbamate
Also Known As: carpavirine, KST-1B1119, 2-Carbamoyloxymethyl-5-(3,5-dichlorophenylthio)-4-isopropyl-1-(pyridin-3-yl)methyl-1H-imidazole, {5-[(3,5-dichlorophenyl)sulfanyl]-4-(1-methylethyl)-1-(pyridin-3-ylmethyl)-1h-imidazol-2-yl}methyl carbamate, [5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(3-pyridylmethyl)imidazol-2-yl]methyl carbamate
| Molecular Formula | C20H20Cl2N4O2S |
|---|---|
| Molecular Weight | 450.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.0684 |
| Heavy Atoms | 29 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 17952-75-9 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)COC(=O)N)CC2=CN=CC=C2)SC3=CC(=CC(=C3)Cl)Cl |
| InChIKey | FXLIMEXJUUBWBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四氢哈尔酚 (CAS 17952-75-9), with molecular formula C20H20Cl2N4O2S and molecular weight 450.07 g/mol. IUPAC: [5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methyl carbamate.
Chemical Property Profile of 四氢哈尔酚
Property Insights of 四氢哈尔酚
The XLogP value of 4.5 indicates that 四氢哈尔酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 四氢哈尔酚. Following Lipinski's Rule of Five, 四氢哈尔酚 has 1 hydrogen bond donor(s) and 5 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 四氢哈尔酚?
The CAS number of 四氢哈尔酚 is 17952-75-9.
What is the molecular formula of 四氢哈尔酚?
The molecular formula of 四氢哈尔酚 is C20H20Cl2N4O2S.
What is the molecular weight of 四氢哈尔酚?
The molecular weight of 四氢哈尔酚 is 450.07 g/mol.
Where can I buy 四氢哈尔酚?
You can request a quote for 四氢哈尔酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四氢哈尔酚?
Yes, KEHONG BIO provides custom synthesis services for 四氢哈尔酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.