BAS 00700371
TL;DR: BAS 00700371 (CAS 331964-40-0) is a chemical compound with molecular formula C16H20N2OS2 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 00700371, 4-Cyclohexyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one, 3-Cyclohexyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-cyclohexyl-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, 3-Cyclohexyl-2-mercapto-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C16H20N2OS2 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.1017 |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 331964-40-0 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=O)C3=C(NC2=S)SC4=C3CCCC4 |
| InChIKey | UGXCTWYUFQDWMU-UHFFFAOYSA-N |
Product Overview
BAS 00700371 (CAS 331964-40-0), with molecular formula C16H20N2OS2 and molecular weight 320.10 g/mol. IUPAC: 3-cyclohexyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 00700371
Property Insights of BAS 00700371
The XLogP value of 4.3 indicates that BAS 00700371 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00700371. Following Lipinski's Rule of Five, BAS 00700371 has 1 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 BAS 00700371?
The CAS number of BAS 00700371 is 331964-40-0.
What is the molecular formula of BAS 00700371?
The molecular formula of BAS 00700371 is C16H20N2OS2.
What is the molecular weight of BAS 00700371?
The molecular weight of BAS 00700371 is 320.10 g/mol.
Where can I buy BAS 00700371?
You can request a quote for BAS 00700371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00700371?
Yes, KEHONG BIO provides custom synthesis services for BAS 00700371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.