MixCom6_000996
TL;DR: MixCom6_000996 (CAS 310452-97-2) is a chemical compound with molecular formula C21H17ClN2O6 and molecular weight 428.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
Also Known As: MixCom6_000996, DivK1c_005428, CDS1_004388, BAS 00628941, BIM-0023800.P001
| Molecular Formula | C21H17ClN2O6 |
|---|---|
| Molecular Weight | 428.08 g/mol |
| LogP | 4.12892 |
| Topological Polar Surface Area | 107.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.0775 |
| Heavy Atoms | 30 |
| Complexity | 1104.0253 |
Chemical Identifiers
| CAS Number | 310452-97-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC |
Product Overview
MixCom6_000996 (CAS 310452-97-2), with molecular formula C21H17ClN2O6 and molecular weight 428.08 g/mol. IUPAC: dimethyl 5-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of MixCom6_000996
Property Insights of MixCom6_000996
The XLogP value of 4.12892 indicates that MixCom6_000996 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.73 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_000996. Following Lipinski's Rule of Five, MixCom6_000996 has 1 hydrogen bond donor(s) and 7 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 MixCom6_000996?
The CAS number of MixCom6_000996 is 310452-97-2.
What is the molecular formula of MixCom6_000996?
The molecular formula of MixCom6_000996 is C21H17ClN2O6.
What is the molecular weight of MixCom6_000996?
The molecular weight of MixCom6_000996 is 428.08 g/mol.
Where can I buy MixCom6_000996?
You can request a quote for MixCom6_000996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_000996?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_000996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.