AB00114713-01
TL;DR: AB00114713-01 (CAS 315679-90-4) is a chemical compound with molecular formula C23H20FNO5S and molecular weight 441.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-acetyloxy-2-phenylacetyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate
Also Known As: AB00114713-01, AF-399/15128372, ethyl 2-[(2-acetyloxy-2-phenylacetyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate, ethyl 2-{[(acetyloxy)(phenyl)acetyl]amino}-4-(4-fluorophenyl)-3-thiophenecarboxylate, {N-[3-(ethoxycarbonyl)-4-(4-fluorophenyl)(2-thienyl)]carbamoyl}phenylmethyl ac etate
| Molecular Formula | C23H20FNO5S |
|---|---|
| Molecular Weight | 441.10 g/mol |
| LogP | 4.9738 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.1046 |
| Heavy Atoms | 31 |
| Complexity | 1079.1061 |
Chemical Identifiers
| CAS Number | 315679-90-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C(C3=CC=CC=C3)OC(=O)C |
Product Overview
AB00114713-01 (CAS 315679-90-4), with molecular formula C23H20FNO5S and molecular weight 441.10 g/mol. IUPAC: ethyl 2-[(2-acetyloxy-2-phenylacetyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate.
Chemical Property Profile of AB00114713-01
Property Insights of AB00114713-01
The XLogP value of 4.9738 indicates that AB00114713-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114713-01. Following Lipinski's Rule of Five, AB00114713-01 has 1 hydrogen bond donor(s) and 6 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 AB00114713-01?
The CAS number of AB00114713-01 is 315679-90-4.
What is the molecular formula of AB00114713-01?
The molecular formula of AB00114713-01 is C23H20FNO5S.
What is the molecular weight of AB00114713-01?
The molecular weight of AB00114713-01 is 441.10 g/mol.
Where can I buy AB00114713-01?
You can request a quote for AB00114713-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114713-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114713-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.