1,3,4-trichlorobutan-2-yl N-phenylcarbamate
TL;DR: 1,3,4-trichlorobutan-2-yl N-phenylcarbamate (CAS 32001-70-0) is a chemical compound with molecular formula C11H12Cl3NO2 and molecular weight 294.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,4-trichlorobutan-2-yl N-phenylcarbamate
Also Known As: KST-1B3046, 1,3,4-trichlorobutan-2-yl phenylcarbamate, 1,3,4-trichlorobutan-2-yl N-phenylcarbamate, 2-Butanol,1,3,4-trichloro-, 2-(N-phenylcarbamate), 1,3,4-Trichlorobutan-2-yl hydrogen phenylcarbonimidate
| Molecular Formula | C11H12Cl3NO2 |
|---|---|
| Molecular Weight | 294.99 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.99335 |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 32001-70-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)OC(CCl)C(CCl)Cl |
| InChIKey | RGTHZURYLAQIGW-UHFFFAOYSA-N |
Product Overview
1,3,4-trichlorobutan-2-yl N-phenylcarbamate (CAS 32001-70-0), with molecular formula C11H12Cl3NO2 and molecular weight 294.99 g/mol. IUPAC: 1,3,4-trichlorobutan-2-yl N-phenylcarbamate.
Chemical Property Profile of 1,3,4-trichlorobutan-2-yl N-phenylcarbamate
Property Insights of 1,3,4-trichlorobutan-2-yl N-phenylcarbamate
The XLogP value of 3.4 indicates that 1,3,4-trichlorobutan-2-yl N-phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 1,3,4-trichlorobutan-2-yl N-phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-trichlorobutan-2-yl N-phenylcarbamate 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 1,3,4-trichlorobutan-2-yl N-phenylcarbamate?
The CAS number of 1,3,4-trichlorobutan-2-yl N-phenylcarbamate is 32001-70-0.
What is the molecular formula of 1,3,4-trichlorobutan-2-yl N-phenylcarbamate?
The molecular formula of 1,3,4-trichlorobutan-2-yl N-phenylcarbamate is C11H12Cl3NO2.
What is the molecular weight of 1,3,4-trichlorobutan-2-yl N-phenylcarbamate?
The molecular weight of 1,3,4-trichlorobutan-2-yl N-phenylcarbamate is 294.99 g/mol.
Where can I buy 1,3,4-trichlorobutan-2-yl N-phenylcarbamate?
You can request a quote for 1,3,4-trichlorobutan-2-yl N-phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-trichlorobutan-2-yl N-phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-trichlorobutan-2-yl N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.