AI 3-27262
TL;DR: AI 3-27262 (CAS 2313-93-1) is a chemical compound with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4,5-dimethylphenyl) N-(2-oxopropyl)carbamate
Also Known As: Upjohn U-12379, ENT 27,262, AI3-27262, AI 3-27262, 2-Chloro-4,5-dimethylphenyl acetylmethylcarbamate
| Molecular Formula | C12H14ClNO3 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.06622 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 2313-93-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)Cl)OC(=O)NCC(=O)C |
| InChIKey | MJCKKOWJBTWJKL-UHFFFAOYSA-N |
Product Overview
AI 3-27262 (CAS 2313-93-1), with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol. IUPAC: (2-chloro-4,5-dimethylphenyl) N-(2-oxopropyl)carbamate.
Chemical Property Profile of AI 3-27262
Property Insights of AI 3-27262
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AI 3-27262. With a topological polar surface area (TPSA) of 55.4 Ų, AI 3-27262 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AI 3-27262 has 1 hydrogen bond donor(s) and 3 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 AI 3-27262?
The CAS number of AI 3-27262 is 2313-93-1.
What is the molecular formula of AI 3-27262?
The molecular formula of AI 3-27262 is C12H14ClNO3.
What is the molecular weight of AI 3-27262?
The molecular weight of AI 3-27262 is 255.07 g/mol.
Where can I buy AI 3-27262?
You can request a quote for AI 3-27262 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI 3-27262?
Yes, KEHONG BIO provides custom synthesis services for AI 3-27262 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.