AB00431749-03
TL;DR: AB00431749-03 (CAS 391863-05-1) is a chemical compound with molecular formula C19H12ClFN4O2S and molecular weight 414.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: AB00431749-03, 3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide, F0453-0155, 3-(2-chlorophenyl)-N-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-5-methylisoxazole-4-carboxamide
| Molecular Formula | C19H12ClFN4O2S |
|---|---|
| Molecular Weight | 414.04 g/mol |
| LogP | 5.21332 |
| Topological Polar Surface Area | 80.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.03534 |
| Heavy Atoms | 28 |
| Complexity | 1156.9674 |
Chemical Identifiers
| CAS Number | 391863-05-1 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)F |
Product Overview
AB00431749-03 (CAS 391863-05-1), with molecular formula C19H12ClFN4O2S and molecular weight 414.04 g/mol. IUPAC: 3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of AB00431749-03
Property Insights of AB00431749-03
The XLogP value of 5.21332 indicates that AB00431749-03 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00431749-03. Following Lipinski's Rule of Five, AB00431749-03 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 AB00431749-03?
The CAS number of AB00431749-03 is 391863-05-1.
What is the molecular formula of AB00431749-03?
The molecular formula of AB00431749-03 is C19H12ClFN4O2S.
What is the molecular weight of AB00431749-03?
The molecular weight of AB00431749-03 is 414.04 g/mol.
Where can I buy AB00431749-03?
You can request a quote for AB00431749-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00431749-03?
Yes, KEHONG BIO provides custom synthesis services for AB00431749-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.