BAS 06105198
TL;DR: BAS 06105198 (CAS 461035-17-6) is a chemical compound with molecular formula C21H23N3OS2 and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]butanamide
Also Known As: BAS 06105198, 3-methyl-N-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]butanamide, 3-methyl-N-(2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)phenyl)butanamide, 3-methyl-N-[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]butanamide
| Molecular Formula | C21H23N3OS2 |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 5.7059 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.12827 |
| Heavy Atoms | 27 |
| Complexity | 980.7172 |
Chemical Identifiers
| CAS Number | 461035-17-6 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=CC=CC=C1SC2=NC=NC3=C2C4=C(S3)CCCC4 |
Product Overview
BAS 06105198 (CAS 461035-17-6), with molecular formula C21H23N3OS2 and molecular weight 397.13 g/mol. IUPAC: 3-methyl-N-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]butanamide.
Chemical Property Profile of BAS 06105198
Property Insights of BAS 06105198
The XLogP value of 5.7059 indicates that BAS 06105198 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, BAS 06105198 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 06105198 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 06105198?
The CAS number of BAS 06105198 is 461035-17-6.
What is the molecular formula of BAS 06105198?
The molecular formula of BAS 06105198 is C21H23N3OS2.
What is the molecular weight of BAS 06105198?
The molecular weight of BAS 06105198 is 397.13 g/mol.
Where can I buy BAS 06105198?
You can request a quote for BAS 06105198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06105198?
Yes, KEHONG BIO provides custom synthesis services for BAS 06105198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.