BAS 00629231
TL;DR: BAS 00629231 (CAS 331848-25-0) is a chemical compound with molecular formula C18H13Cl2N3O4 and molecular weight 405.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-4-carboxamide
Also Known As: BAS 00629231, 3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-4-carboxamide, [3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-N-(2-methyl-5-nitrophenyl)carbo xamide, 3-(2,6-dichlorophenyl)-N-{5-nitro-2-methylphenyl}-5-methylisoxazole-4-carboxamide, 3-(2,6-DICHLOROPHENYL)-5-METHYL-N~4~-(2-METHYL-5-NITROPHENYL)-4-ISOXAZOLECARBOXAMIDE
| Molecular Formula | C18H13Cl2N3O4 |
|---|---|
| Molecular Weight | 405.03 g/mol |
| LogP | 5.42574 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.02832 |
| Heavy Atoms | 27 |
| Complexity | 1042.5055 |
Chemical Identifiers
| CAS Number | 331848-25-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C |
Product Overview
BAS 00629231 (CAS 331848-25-0), with molecular formula C18H13Cl2N3O4 and molecular weight 405.03 g/mol. IUPAC: 3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-4-carboxamide.
Chemical Property Profile of BAS 00629231
Property Insights of BAS 00629231
The XLogP value of 5.42574 indicates that BAS 00629231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00629231. Following Lipinski's Rule of Five, BAS 00629231 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00629231?
The CAS number of BAS 00629231 is 331848-25-0.
What is the molecular formula of BAS 00629231?
The molecular formula of BAS 00629231 is C18H13Cl2N3O4.
What is the molecular weight of BAS 00629231?
The molecular weight of BAS 00629231 is 405.03 g/mol.
Where can I buy BAS 00629231?
You can request a quote for BAS 00629231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00629231?
Yes, KEHONG BIO provides custom synthesis services for BAS 00629231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.