BAS 12770346
TL;DR: BAS 12770346 (CAS 878425-75-3) is a chemical compound with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
Also Known As: BAS 12770346, VU0509248-1, F3101-0004, 1-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-hexahydro-1H-5lambda6-thieno[3,4-d]imidazole-2,5,5-trione, 1-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one 5,5-dioxide
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 2.92424 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 1001.14185 |
Chemical Identifiers
| CAS Number | 878425-75-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3CS(=O)(=O)CC3N(C2=O)C4=CC=C(C=C4)OC)C |
Product Overview
BAS 12770346 (CAS 878425-75-3), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: 3-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one.
Chemical Property Profile of BAS 12770346
Property Insights of BAS 12770346
The XLogP value of 2.92424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12770346. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12770346. Following Lipinski's Rule of Five, BAS 12770346 has 0 hydrogen bond donor(s) and 4 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 12770346?
The CAS number of BAS 12770346 is 878425-75-3.
What is the molecular formula of BAS 12770346?
The molecular formula of BAS 12770346 is C20H22N2O4S.
What is the molecular weight of BAS 12770346?
The molecular weight of BAS 12770346 is 386.13 g/mol.
Where can I buy BAS 12770346?
You can request a quote for BAS 12770346 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12770346?
Yes, KEHONG BIO provides custom synthesis services for BAS 12770346 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.