AB00682936-01
TL;DR: AB00682936-01 (CAS 879928-25-3) is a chemical compound with molecular formula C18H17ClN2O3S and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
Also Known As: AB00682936-01, 1-(4-chlorophenyl)-3-(m-tolyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one 5,5-dioxide, F3118-0022, 1-(4-chlorophenyl)-3-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one, 6-(4-chlorophenyl)-4-(3-methylphenyl)-1,3,4,6,3a,6a-hexahydro-2-thia-4,6-diaza pentalene-2,2,5-trione
| Molecular Formula | C18H17ClN2O3S |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 3.26062 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.06485 |
| Heavy Atoms | 25 |
| Complexity | 943.04846 |
Chemical Identifiers
| CAS Number | 879928-25-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C3CS(=O)(=O)CC3N(C2=O)C4=CC=C(C=C4)Cl |
Product Overview
AB00682936-01 (CAS 879928-25-3), with molecular formula C18H17ClN2O3S and molecular weight 376.06 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one.
Chemical Property Profile of AB00682936-01
Property Insights of AB00682936-01
The XLogP value of 3.26062 indicates that AB00682936-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, AB00682936-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00682936-01 has 0 hydrogen bond donor(s) and 3 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 AB00682936-01?
The CAS number of AB00682936-01 is 879928-25-3.
What is the molecular formula of AB00682936-01?
The molecular formula of AB00682936-01 is C18H17ClN2O3S.
What is the molecular weight of AB00682936-01?
The molecular weight of AB00682936-01 is 376.06 g/mol.
Where can I buy AB00682936-01?
You can request a quote for AB00682936-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00682936-01?
Yes, KEHONG BIO provides custom synthesis services for AB00682936-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.