AN-329/40343550
TL;DR: AN-329/40343550 (CAS 314283-79-9) is a chemical compound with molecular formula C16H14ClN3O3S and molecular weight 363.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AN-329/40343550, 2-({2-chloro-5-nitrobenzylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(2-chloro-5-nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C16H14ClN3O3S |
|---|---|
| Molecular Weight | 363.04 g/mol |
| LogP | 4.038 |
| Topological Polar Surface Area | 98.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.04443 |
| Heavy Atoms | 24 |
| Complexity | 860.4928 |
Chemical Identifiers
| CAS Number | 314283-79-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)N |
Product Overview
AN-329/40343550 (CAS 314283-79-9), with molecular formula C16H14ClN3O3S and molecular weight 363.04 g/mol. IUPAC: 2-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AN-329/40343550
Property Insights of AN-329/40343550
The XLogP value of 4.038 indicates that AN-329/40343550 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/40343550. Following Lipinski's Rule of Five, AN-329/40343550 has 1 hydrogen bond donor(s) and 5 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-329/40343550?
The CAS number of AN-329/40343550 is 314283-79-9.
What is the molecular formula of AN-329/40343550?
The molecular formula of AN-329/40343550 is C16H14ClN3O3S.
What is the molecular weight of AN-329/40343550?
The molecular weight of AN-329/40343550 is 363.04 g/mol.
Where can I buy AN-329/40343550?
You can request a quote for AN-329/40343550 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/40343550?
Yes, KEHONG BIO provides custom synthesis services for AN-329/40343550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.