AN-329/43210911
TL;DR: AN-329/43210911 (CAS 897542-83-5) is a chemical compound with molecular formula C21H26ClN5O3S and molecular weight 463.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide
Also Known As: AN-329/43210911, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-4-{4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}butanamide, N-[6-(tert-butyl)-3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)]-4-(4-chlor o-5-methyl-3-nitropyrazolyl)butanamide
| Molecular Formula | C21H26ClN5O3S |
|---|---|
| Molecular Weight | 463.14 g/mol |
| LogP | 5.2562 |
| Topological Polar Surface Area | 113.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.1445 |
| Heavy Atoms | 31 |
| Complexity | 1060.7292 |
Chemical Identifiers
| CAS Number | 897542-83-5 |
|---|---|
| SMILES | CC1=C(C(=NN1CCCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)[N+](=O)[O-])Cl |
Product Overview
AN-329/43210911 (CAS 897542-83-5), with molecular formula C21H26ClN5O3S and molecular weight 463.14 g/mol. IUPAC: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide.
Chemical Property Profile of AN-329/43210911
Property Insights of AN-329/43210911
The XLogP value of 5.2562 indicates that AN-329/43210911 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/43210911. Following Lipinski's Rule of Five, AN-329/43210911 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-329/43210911?
The CAS number of AN-329/43210911 is 897542-83-5.
What is the molecular formula of AN-329/43210911?
The molecular formula of AN-329/43210911 is C21H26ClN5O3S.
What is the molecular weight of AN-329/43210911?
The molecular weight of AN-329/43210911 is 463.14 g/mol.
Where can I buy AN-329/43210911?
You can request a quote for AN-329/43210911 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/43210911?
Yes, KEHONG BIO provides custom synthesis services for AN-329/43210911 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.