AN-329/43211401
TL;DR: AN-329/43211401 (CAS 712347-59-6) is a chemical compound with molecular formula C18H16BrN3O2S and molecular weight 417.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromophenyl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
Also Known As: AN-329/43211401, 3-(3-bromophenyl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide, [3-(3-bromophenyl)(4,5-dihydroisoxazol-5-yl)]-N-(3-cyano-4-ethyl-5-methyl(2-th ienyl))carboxamide, 3-(3-bromophenyl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-4,5-dihydro-5-isoxazolecarboxamide
| Molecular Formula | C18H16BrN3O2S |
|---|---|
| Molecular Weight | 417.01 g/mol |
| LogP | 4.3848 |
| Topological Polar Surface Area | 74.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.01465 |
| Heavy Atoms | 25 |
| Complexity | 898.21155 |
Chemical Identifiers
| CAS Number | 712347-59-6 |
|---|---|
| SMILES | CCC1=C(SC(=C1C#N)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br)C |
Product Overview
AN-329/43211401 (CAS 712347-59-6), with molecular formula C18H16BrN3O2S and molecular weight 417.01 g/mol. IUPAC: 3-(3-bromophenyl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
Chemical Property Profile of AN-329/43211401
Property Insights of AN-329/43211401
The XLogP value of 4.3848 indicates that AN-329/43211401 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/43211401. Following Lipinski's Rule of Five, AN-329/43211401 has 1 hydrogen bond donor(s) and 5 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-329/43211401?
The CAS number of AN-329/43211401 is 712347-59-6.
What is the molecular formula of AN-329/43211401?
The molecular formula of AN-329/43211401 is C18H16BrN3O2S.
What is the molecular weight of AN-329/43211401?
The molecular weight of AN-329/43211401 is 417.01 g/mol.
Where can I buy AN-329/43211401?
You can request a quote for AN-329/43211401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/43211401?
Yes, KEHONG BIO provides custom synthesis services for AN-329/43211401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.