BAS 00700366
TL;DR: BAS 00700366 (CAS 81144-25-4) is a chemical compound with molecular formula C18H18N2OS2 and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 00700366, AB00093399-01, 3-benzyl-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-benzyl-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-benzyl-2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C18H18N2OS2 |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.08606 |
| Heavy Atoms | 23 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 81144-25-4 |
|---|---|
| SMILES | CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC4=CC=CC=C4 |
| InChIKey | PDGANVYYXNXAIL-UHFFFAOYSA-N |
Product Overview
BAS 00700366 (CAS 81144-25-4), with molecular formula C18H18N2OS2 and molecular weight 342.09 g/mol. IUPAC: 3-benzyl-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 00700366
Property Insights of BAS 00700366
The XLogP value of 4.6 indicates that BAS 00700366 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00700366. Following Lipinski's Rule of Five, BAS 00700366 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 00700366?
The CAS number of BAS 00700366 is 81144-25-4.
What is the molecular formula of BAS 00700366?
The molecular formula of BAS 00700366 is C18H18N2OS2.
What is the molecular weight of BAS 00700366?
The molecular weight of BAS 00700366 is 342.09 g/mol.
Where can I buy BAS 00700366?
You can request a quote for BAS 00700366 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00700366?
Yes, KEHONG BIO provides custom synthesis services for BAS 00700366 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.