3-methylbutan-2-yl N-(3-chlorophenyl)carbamate
TL;DR: 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate (CAS 6950-58-9) is a chemical compound with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutan-2-yl N-(3-chlorophenyl)carbamate
Also Known As: 3-Butyn-2-ol,phenylcarbamate, 3-methylbutan-2-yl(3-chlorophenyl)carbamate, 3-methylbutan-2-yl (3-chlorophenyl)carbamate, 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate, Carbamic acid,(3-chlorophenyl)-,1,2-dimethylpropyl ester(9ci)
| Molecular Formula | C12H16ClNO2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.08696 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 6950-58-9 |
|---|---|
| SMILES | CC(C)C(C)OC(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | RBYVZCVTOHVIAT-UHFFFAOYSA-N |
Product Overview
3-methylbutan-2-yl N-(3-chlorophenyl)carbamate (CAS 6950-58-9), with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol. IUPAC: 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate
Property Insights of 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate
The XLogP value of 4.5 indicates that 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate 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 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate?
The CAS number of 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate is 6950-58-9.
What is the molecular formula of 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate?
The molecular formula of 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate is C12H16ClNO2.
What is the molecular weight of 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate?
The molecular weight of 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate is 241.09 g/mol.
Where can I buy 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate?
You can request a quote for 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-methylbutan-2-yl N-(3-chlorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.