AB00760989-01
TL;DR: AB00760989-01 (CAS 312939-93-8) is a chemical compound with molecular formula C18H20FNO3S and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-fluorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
Also Known As: AB00760989-01, AE-848/12124475, ethyl 2-(2-fluorobenzamido)-4-isobutylthiophene-3-carboxylate, ethyl 2-[(2-fluorobenzoyl)amino]-4-isobutyl-3-thiophenecarboxylate, ethyl 2-[(2-fluorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
| Molecular Formula | C18H20FNO3S |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.1148 |
| Heavy Atoms | 24 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 312939-93-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C2=CC=CC=C2F |
| InChIKey | PBAAKXCPJZOVOF-UHFFFAOYSA-N |
Product Overview
AB00760989-01 (CAS 312939-93-8), with molecular formula C18H20FNO3S and molecular weight 349.11 g/mol. IUPAC: ethyl 2-[(2-fluorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate.
Chemical Property Profile of AB00760989-01
Property Insights of AB00760989-01
The XLogP value of 5.2 indicates that AB00760989-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00760989-01. Following Lipinski's Rule of Five, AB00760989-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00760989-01?
The CAS number of AB00760989-01 is 312939-93-8.
What is the molecular formula of AB00760989-01?
The molecular formula of AB00760989-01 is C18H20FNO3S.
What is the molecular weight of AB00760989-01?
The molecular weight of AB00760989-01 is 349.11 g/mol.
Where can I buy AB00760989-01?
You can request a quote for AB00760989-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00760989-01?
Yes, KEHONG BIO provides custom synthesis services for AB00760989-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.