AP-064/40657318
TL;DR: AP-064/40657318 (CAS 499198-29-7) is a chemical compound with molecular formula C25H23FN2O4S and molecular weight 466.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(4-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate
Also Known As: AP-064/40657318, ethyl 4-[({2-[(4-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothien-3-yl}carbonyl)amino]benzoate, ethyl 4-[[2-[(4-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate, ethyl 4-(2-(4-fluorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate
| Molecular Formula | C25H23FN2O4S |
|---|---|
| Molecular Weight | 466.14 g/mol |
| LogP | 5.4473 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.13626 |
| Heavy Atoms | 33 |
| Complexity | 1186.366 |
Chemical Identifiers
| CAS Number | 499198-29-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(C=C4)F |
Product Overview
AP-064/40657318 (CAS 499198-29-7), with molecular formula C25H23FN2O4S and molecular weight 466.14 g/mol. IUPAC: ethyl 4-[[2-[(4-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate.
Chemical Property Profile of AP-064/40657318
Property Insights of AP-064/40657318
The XLogP value of 5.4473 indicates that AP-064/40657318 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-064/40657318. Following Lipinski's Rule of Five, AP-064/40657318 has 2 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 AP-064/40657318?
The CAS number of AP-064/40657318 is 499198-29-7.
What is the molecular formula of AP-064/40657318?
The molecular formula of AP-064/40657318 is C25H23FN2O4S.
What is the molecular weight of AP-064/40657318?
The molecular weight of AP-064/40657318 is 466.14 g/mol.
Where can I buy AP-064/40657318?
You can request a quote for AP-064/40657318 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-064/40657318?
Yes, KEHONG BIO provides custom synthesis services for AP-064/40657318 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.