AN-329/43210907
TL;DR: AN-329/43210907 (CAS 897542-75-5) is a chemical compound with molecular formula C21H21ClN4O5S and molecular weight 476.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanoylamino]-4-phenylthiophene-3-carboxylate
Also Known As: AN-329/43210907, ethyl 2-[4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanoylamino]-4-phenylthiophene-3-carboxylate, ethyl 2-(4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido)-4-phenylthiophene-3-carboxylate, ethyl 2-[(4-{4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}butanoyl)amino]-4-phenyl-3-thiophenecarboxylate, ETHYL 2-[4-(4-CHLORO-5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)BUTANAMIDO]-4-PHENYLTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C21H21ClN4O5S |
|---|---|
| Molecular Weight | 476.09 g/mol |
| LogP | 5.07722 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.09213 |
| Heavy Atoms | 32 |
| Complexity | 1142.769 |
Chemical Identifiers
| CAS Number | 897542-75-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Cl)C |
Product Overview
AN-329/43210907 (CAS 897542-75-5), with molecular formula C21H21ClN4O5S and molecular weight 476.09 g/mol. IUPAC: ethyl 2-[4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanoylamino]-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of AN-329/43210907
Property Insights of AN-329/43210907
The XLogP value of 5.07722 indicates that AN-329/43210907 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/43210907. Following Lipinski's Rule of Five, AN-329/43210907 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-329/43210907?
The CAS number of AN-329/43210907 is 897542-75-5.
What is the molecular formula of AN-329/43210907?
The molecular formula of AN-329/43210907 is C21H21ClN4O5S.
What is the molecular weight of AN-329/43210907?
The molecular weight of AN-329/43210907 is 476.09 g/mol.
Where can I buy AN-329/43210907?
You can request a quote for AN-329/43210907 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/43210907?
Yes, KEHONG BIO provides custom synthesis services for AN-329/43210907 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.