AB01311913-01
TL;DR: AB01311913-01 (CAS 847463-52-9) is a chemical compound with molecular formula C18H21ClN2O3 and molecular weight 348.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-chloro-2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
Also Known As: AB01311913-01, F0672-0426, ethyl 4-((3-chloro-2-methylphenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate, Ethyl 4-[(3-chloro-2-methyl-phenyl)carbamoyl]-1,3,5-trimethyl-pyrrole-2-carboxylate, ethyl 4-[(3-chloro-2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
| Molecular Formula | C18H21ClN2O3 |
|---|---|
| Molecular Weight | 348.12 g/mol |
| LogP | 4.03276 |
| Topological Polar Surface Area | 60.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.12408 |
| Heavy Atoms | 24 |
| Complexity | 809.08057 |
Chemical Identifiers
| CAS Number | 847463-52-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NC2=C(C(=CC=C2)Cl)C)C |
Product Overview
AB01311913-01 (CAS 847463-52-9), with molecular formula C18H21ClN2O3 and molecular weight 348.12 g/mol. IUPAC: ethyl 4-[(3-chloro-2-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate.
Chemical Property Profile of AB01311913-01
Property Insights of AB01311913-01
The XLogP value of 4.03276 indicates that AB01311913-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01311913-01. Following Lipinski's Rule of Five, AB01311913-01 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 AB01311913-01?
The CAS number of AB01311913-01 is 847463-52-9.
What is the molecular formula of AB01311913-01?
The molecular formula of AB01311913-01 is C18H21ClN2O3.
What is the molecular weight of AB01311913-01?
The molecular weight of AB01311913-01 is 348.12 g/mol.
Where can I buy AB01311913-01?
You can request a quote for AB01311913-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01311913-01?
Yes, KEHONG BIO provides custom synthesis services for AB01311913-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.