氯苯胺灵
TL;DR: 氯苯胺灵 (CAS 101-21-3) is a chemical compound with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯苯胺灵
propan-2-yl N-(3-chlorophenyl)carbamate
Also Known As: chlorpropham, CHLOROPROPHAM, Preventol, Elbanil, Metoxon
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.05565 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
| Melting Point | 41.4 °C |
| Boiling Point | 247.2 °C at 760 mmHg (decomposition) |
| Density | 1.18 at 30.0 °C |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| Vapor Pressure | 2 mmHg at 148.9 °C |
| Refractive Index | 1.5388 at 20 °C |
Chemical Identifiers
| CAS Number | 101-21-3 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | CWJSHJJYOPWUGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯苯胺灵 (CAS 101-21-3), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: propan-2-yl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of 氯苯胺灵
Property Insights of 氯苯胺灵
The XLogP value of 3.5 indicates that 氯苯胺灵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 氯苯胺灵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯苯胺灵 has 1 hydrogen bond donor(s) and 2 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 氯苯胺灵?
The CAS number of 氯苯胺灵 is 101-21-3.
What is the molecular formula of 氯苯胺灵?
The molecular formula of 氯苯胺灵 is C10H12ClNO2.
What is the molecular weight of 氯苯胺灵?
The molecular weight of 氯苯胺灵 is 213.06 g/mol.
Where can I buy 氯苯胺灵?
You can request a quote for 氯苯胺灵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯苯胺灵?
Yes, KEHONG BIO provides custom synthesis services for 氯苯胺灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.