BAS 04357961
TL;DR: BAS 04357961 (CAS 474004-98-3) is a chemical compound with molecular formula C18H15ClN2O4 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: BAS 04357961, AB00116820-01, 2-(4-chlorophenyl)-3-(4-methoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, F1199-0146, 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C18H15ClN2O4 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 2.4827 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.07202 |
| Heavy Atoms | 25 |
| Complexity | 821.9746 |
Chemical Identifiers
| CAS Number | 474004-98-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3C(C(=O)NC3=O)ON2C4=CC=C(C=C4)Cl |
Product Overview
BAS 04357961 (CAS 474004-98-3), with molecular formula C18H15ClN2O4 and molecular weight 358.07 g/mol. IUPAC: 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of BAS 04357961
Property Insights of BAS 04357961
The XLogP value of 2.4827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04357961. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04357961. Following Lipinski's Rule of Five, BAS 04357961 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 BAS 04357961?
The CAS number of BAS 04357961 is 474004-98-3.
What is the molecular formula of BAS 04357961?
The molecular formula of BAS 04357961 is C18H15ClN2O4.
What is the molecular weight of BAS 04357961?
The molecular weight of BAS 04357961 is 358.07 g/mol.
Where can I buy BAS 04357961?
You can request a quote for BAS 04357961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04357961?
Yes, KEHONG BIO provides custom synthesis services for BAS 04357961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.