AN-329/40396887
TL;DR: AN-329/40396887 (CAS 314766-47-7) is a chemical compound with molecular formula C16H16FN3OS2 and molecular weight 349.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AN-329/40396887, 2-{[(4-fluoroanilino)carbothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(4-fluorophenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(4-fluorophenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-({[(4-fluorophenyl)amino]carbonothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C16H16FN3OS2 |
|---|---|
| Molecular Weight | 349.07 g/mol |
| LogP | 3.6738 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.07187 |
| Heavy Atoms | 23 |
| Complexity | 755.43097 |
Chemical Identifiers
| CAS Number | 314766-47-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=S)NC3=CC=C(C=C3)F)C(=O)N |
Product Overview
AN-329/40396887 (CAS 314766-47-7), with molecular formula C16H16FN3OS2 and molecular weight 349.07 g/mol. IUPAC: 2-[(4-fluorophenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AN-329/40396887
Property Insights of AN-329/40396887
The XLogP value of 3.6738 indicates that AN-329/40396887 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/40396887. Following Lipinski's Rule of Five, AN-329/40396887 has 3 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 AN-329/40396887?
The CAS number of AN-329/40396887 is 314766-47-7.
What is the molecular formula of AN-329/40396887?
The molecular formula of AN-329/40396887 is C16H16FN3OS2.
What is the molecular weight of AN-329/40396887?
The molecular weight of AN-329/40396887 is 349.07 g/mol.
Where can I buy AN-329/40396887?
You can request a quote for AN-329/40396887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/40396887?
Yes, KEHONG BIO provides custom synthesis services for AN-329/40396887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.