AN-329/43210913
TL;DR: AN-329/43210913 (CAS 897542-85-7) is a chemical compound with molecular formula C20H25ClN4O5S and molecular weight 468.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AN-329/43210913, isopropyl 2-[(4-{4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}butanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-[4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, isopropyl 2-(4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methylethyl 2-[4-(4-chloro-5-methyl-3-nitropyrazolyl)butanoylamino]-4,5,6,7-te trahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C20H25ClN4O5S |
|---|---|
| Molecular Weight | 468.12 g/mol |
| LogP | 4.67752 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.1234 |
| Heavy Atoms | 31 |
| Complexity | 1013.8678 |
Chemical Identifiers
| CAS Number | 897542-85-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)[N+](=O)[O-])Cl |
Product Overview
AN-329/43210913 (CAS 897542-85-7), with molecular formula C20H25ClN4O5S and molecular weight 468.12 g/mol. IUPAC: propan-2-yl 2-[4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AN-329/43210913
Property Insights of AN-329/43210913
The XLogP value of 4.67752 indicates that AN-329/43210913 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-329/43210913. Following Lipinski's Rule of Five, AN-329/43210913 has 1 hydrogen bond donor(s) and 7 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-329/43210913?
The CAS number of AN-329/43210913 is 897542-85-7.
What is the molecular formula of AN-329/43210913?
The molecular formula of AN-329/43210913 is C20H25ClN4O5S.
What is the molecular weight of AN-329/43210913?
The molecular weight of AN-329/43210913 is 468.12 g/mol.
Where can I buy AN-329/43210913?
You can request a quote for AN-329/43210913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/43210913?
Yes, KEHONG BIO provides custom synthesis services for AN-329/43210913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.