BAS 00629091
TL;DR: BAS 00629091 (CAS 331847-97-3) is a chemical compound with molecular formula C18H13Cl3N2O3 and molecular weight 410.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: BAS 00629091, N-(5-chloro-2-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide, N-(5-chloro-2-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide, [3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-N-(5-chloro-2-methoxyphenyl)car boxamide, N~4~-(5-CHLORO-2-METHOXYPHENYL)-3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXAMIDE
| Molecular Formula | C18H13Cl3N2O3 |
|---|---|
| Molecular Weight | 410.00 g/mol |
| LogP | 5.87112 |
| Topological Polar Surface Area | 64.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.99918 |
| Heavy Atoms | 26 |
| Complexity | 965.5578 |
Chemical Identifiers
| CAS Number | 331847-97-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=C(C=CC(=C3)Cl)OC |
Product Overview
BAS 00629091 (CAS 331847-97-3), with molecular formula C18H13Cl3N2O3 and molecular weight 410.00 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of BAS 00629091
Property Insights of BAS 00629091
The XLogP value of 5.87112 indicates that BAS 00629091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00629091. Following Lipinski's Rule of Five, BAS 00629091 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00629091?
The CAS number of BAS 00629091 is 331847-97-3.
What is the molecular formula of BAS 00629091?
The molecular formula of BAS 00629091 is C18H13Cl3N2O3.
What is the molecular weight of BAS 00629091?
The molecular weight of BAS 00629091 is 410.00 g/mol.
Where can I buy BAS 00629091?
You can request a quote for BAS 00629091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00629091?
Yes, KEHONG BIO provides custom synthesis services for BAS 00629091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.