BAS 01176705
TL;DR: BAS 01176705 (CAS 328261-30-9) is a chemical compound with molecular formula C17H17N3OS2 and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-11-methyl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: BAS 01176705, AJ-292/11387672, 3-benzyl-7-methyl-2-thioxo-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one, 3-benzyl-7-methyl-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 7-methyl-3-benzyl-2-thioxo-1,3,5,6,7,8-hexahydropyrimidino[5',4'-4,5]thiopheno [2,3-c]pyridin-4-one
| Molecular Formula | C17H17N3OS2 |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.0813 |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 328261-30-9 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)CC4=CC=CC=C4 |
| InChIKey | XIEGZAYJBQFRCC-UHFFFAOYSA-N |
Product Overview
BAS 01176705 (CAS 328261-30-9), with molecular formula C17H17N3OS2 and molecular weight 343.08 g/mol. IUPAC: 4-benzyl-11-methyl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of BAS 01176705
Property Insights of BAS 01176705
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01176705. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01176705. Following Lipinski's Rule of Five, BAS 01176705 has 1 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 01176705?
The CAS number of BAS 01176705 is 328261-30-9.
What is the molecular formula of BAS 01176705?
The molecular formula of BAS 01176705 is C17H17N3OS2.
What is the molecular weight of BAS 01176705?
The molecular weight of BAS 01176705 is 343.08 g/mol.
Where can I buy BAS 01176705?
You can request a quote for BAS 01176705 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01176705?
Yes, KEHONG BIO provides custom synthesis services for BAS 01176705 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.