BAS 01176834
TL;DR: BAS 01176834 (CAS 332145-30-9) is a chemical compound with molecular formula C19H21N3OS2 and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-11-propan-2-yl-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 01176834, AB00100912-01, 3-benzyl-7-isopropyl-2-mercapto-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-benzyl-7-(propan-2-yl)-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 7-(methylethyl)-3-benzyl-2-sulfanyl-3,5,6,7,8-pentahydropyrimidino[5',4'-4,5]t hiopheno[2,3-c]pyridin-4-one
| Molecular Formula | C19H21N3OS2 |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 3.93539 |
| Topological Polar Surface Area | 41.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.1126 |
| Heavy Atoms | 25 |
| Complexity | 1030.4893 |
Chemical Identifiers
| CAS Number | 332145-30-9 |
|---|---|
| SMILES | CC(C)N1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)CC4=CC=CC=C4 |
Product Overview
BAS 01176834 (CAS 332145-30-9), with molecular formula C19H21N3OS2 and molecular weight 371.11 g/mol. IUPAC: 4-benzyl-11-propan-2-yl-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 01176834
Property Insights of BAS 01176834
The XLogP value of 3.93539 indicates that BAS 01176834 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.03 Ų, BAS 01176834 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01176834 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 01176834?
The CAS number of BAS 01176834 is 332145-30-9.
What is the molecular formula of BAS 01176834?
The molecular formula of BAS 01176834 is C19H21N3OS2.
What is the molecular weight of BAS 01176834?
The molecular weight of BAS 01176834 is 371.11 g/mol.
Where can I buy BAS 01176834?
You can request a quote for BAS 01176834 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01176834?
Yes, KEHONG BIO provides custom synthesis services for BAS 01176834 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.