BAS 09531988
TL;DR: BAS 09531988 (CAS 797781-87-4) 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.
3-(3-chlorophenyl)-1-(4-ethoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
Also Known As: BAS 09531988, 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one 5,5-dioxide, F1659-0020, 3-(3-chlorophenyl)-1-(4-ethoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one, 6-(3-chlorophenyl)-4-(4-ethoxyphenyl)-1,3,4,6,3a,6a-hexahydro-2-thia-4,6-diaza pentalene-2,2,5-trione
| Molecular Formula | C19H19ClN2O4S |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 3.3509 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.0754 |
| Heavy Atoms | 27 |
| Complexity | 977.4591 |
Chemical Identifiers
| CAS Number | 797781-87-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(C2=O)C4=CC(=CC=C4)Cl |
Product Overview
BAS 09531988 (CAS 797781-87-4), with molecular formula C19H19ClN2O4S and molecular weight 406.08 g/mol. IUPAC: 3-(3-chlorophenyl)-1-(4-ethoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one.
Chemical Property Profile of BAS 09531988
Property Insights of BAS 09531988
The XLogP value of 3.3509 indicates that BAS 09531988 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 09531988. Following Lipinski's Rule of Five, BAS 09531988 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 09531988?
The CAS number of BAS 09531988 is 797781-87-4.
What is the molecular formula of BAS 09531988?
The molecular formula of BAS 09531988 is C19H19ClN2O4S.
What is the molecular weight of BAS 09531988?
The molecular weight of BAS 09531988 is 406.08 g/mol.
Where can I buy BAS 09531988?
You can request a quote for BAS 09531988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09531988?
Yes, KEHONG BIO provides custom synthesis services for BAS 09531988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.