AN-023/40917239
TL;DR: AN-023/40917239 (CAS 431985-86-3) is a chemical compound with molecular formula C23H17BrN2O4S and molecular weight 496.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate
Also Known As: AN-023/40917239, [4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate, 4-{[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl 2-thiophenecarboxylate, (E)-4-((1-(4-bromophenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)-2-methoxyphenyl thiophene-2-carboxylate
| Molecular Formula | C23H17BrN2O4S |
|---|---|
| Molecular Weight | 496.01 g/mol |
| LogP | 5.5445 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.00925 |
| Heavy Atoms | 31 |
| Complexity | 1200.8242 |
Chemical Identifiers
| CAS Number | 431985-86-3 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC)C4=CC=C(C=C4)Br |
Product Overview
AN-023/40917239 (CAS 431985-86-3), with molecular formula C23H17BrN2O4S and molecular weight 496.01 g/mol. IUPAC: [4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate.
Chemical Property Profile of AN-023/40917239
Property Insights of AN-023/40917239
The XLogP value of 5.5445 indicates that AN-023/40917239 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-023/40917239. Following Lipinski's Rule of Five, AN-023/40917239 has 0 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-023/40917239?
The CAS number of AN-023/40917239 is 431985-86-3.
What is the molecular formula of AN-023/40917239?
The molecular formula of AN-023/40917239 is C23H17BrN2O4S.
What is the molecular weight of AN-023/40917239?
The molecular weight of AN-023/40917239 is 496.01 g/mol.
Where can I buy AN-023/40917239?
You can request a quote for AN-023/40917239 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-023/40917239?
Yes, KEHONG BIO provides custom synthesis services for AN-023/40917239 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.