BAS 12770345
TL;DR: BAS 12770345 (CAS 878425-70-8) is a chemical compound with molecular formula C19H19ClN2O4S and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-methylphenyl)-3-(2-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
Also Known As: BAS 12770345, F3101-0003, 1-(3-chloro-4-methylphenyl)-3-(2-methoxyphenyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one 5,5-dioxide, 1-(3-chloro-4-methylphenyl)-3-(2-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one, 2-(3-chloro-4-tolyl)-4-(o-methoxyphenyl)-3-oxo-7-oxo-7lambda-thia-2,4-diazabicyclo[3.3.0]octan-7-ium-7-olate
| Molecular Formula | C19H19ClN2O4S |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 3.26922 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.0754 |
| Heavy Atoms | 27 |
| Complexity | 1024.1198 |
Chemical Identifiers
| CAS Number | 878425-70-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3CS(=O)(=O)CC3N(C2=O)C4=CC=CC=C4OC)Cl |
Product Overview
BAS 12770345 (CAS 878425-70-8), with molecular formula C19H19ClN2O4S and molecular weight 406.08 g/mol. IUPAC: 1-(3-chloro-4-methylphenyl)-3-(2-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one.
Chemical Property Profile of BAS 12770345
Property Insights of BAS 12770345
The XLogP value of 3.26922 indicates that BAS 12770345 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12770345. Following Lipinski's Rule of Five, BAS 12770345 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 12770345?
The CAS number of BAS 12770345 is 878425-70-8.
What is the molecular formula of BAS 12770345?
The molecular formula of BAS 12770345 is C19H19ClN2O4S.
What is the molecular weight of BAS 12770345?
The molecular weight of BAS 12770345 is 406.08 g/mol.
Where can I buy BAS 12770345?
You can request a quote for BAS 12770345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12770345?
Yes, KEHONG BIO provides custom synthesis services for BAS 12770345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.