BAS 12969641
TL;DR: BAS 12969641 (CAS 878428-17-2) is a chemical compound with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
Also Known As: BAS 12969641, 1-(2-methoxyphenyl)-3-(4-methoxyphenyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one 5,5-dioxide, F3118-0041, 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one, 4-(4-methoxyphenyl)-6-(2-methoxyphenyl)-1,3,4,6,3a,6a-hexahydro-2-thia-4,6-dia zapentalene-2,2,5-trione
| Molecular Formula | C19H20N2O5S |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 2.316 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.10928 |
| Heavy Atoms | 27 |
| Complexity | 973.8495 |
Chemical Identifiers
| CAS Number | 878428-17-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(C2=O)C4=CC=CC=C4OC |
Product Overview
BAS 12969641 (CAS 878428-17-2), with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol. IUPAC: 3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one.
Chemical Property Profile of BAS 12969641
Property Insights of BAS 12969641
The XLogP value of 2.316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12969641. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12969641. Following Lipinski's Rule of Five, BAS 12969641 has 0 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 12969641?
The CAS number of BAS 12969641 is 878428-17-2.
What is the molecular formula of BAS 12969641?
The molecular formula of BAS 12969641 is C19H20N2O5S.
What is the molecular weight of BAS 12969641?
The molecular weight of BAS 12969641 is 388.11 g/mol.
Where can I buy BAS 12969641?
You can request a quote for BAS 12969641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12969641?
Yes, KEHONG BIO provides custom synthesis services for BAS 12969641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.