BAS 08139169
TL;DR: BAS 08139169 (CAS 683797-08-2) is a chemical compound with molecular formula C16H19N5S and molecular weight 313.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile
Also Known As: BAS 08139169, 2-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile, [4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile, 2-(4-(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-yl)piperazinyl)eth anenitrile, 2-(4-(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)acetonitrile
| Molecular Formula | C16H19N5S |
|---|---|
| Molecular Weight | 313.14 g/mol |
| LogP | 2.21568 |
| Topological Polar Surface Area | 56.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.1361 |
| Heavy Atoms | 22 |
| Complexity | 723.9468 |
Chemical Identifiers
| CAS Number | 683797-08-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=CN=C3S2)N4CCN(CC4)CC#N |
Product Overview
BAS 08139169 (CAS 683797-08-2), with molecular formula C16H19N5S and molecular weight 313.14 g/mol. IUPAC: 2-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile.
Chemical Property Profile of BAS 08139169
Property Insights of BAS 08139169
The XLogP value of 2.21568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08139169. With a topological polar surface area (TPSA) of 56.05 Ų, BAS 08139169 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 08139169 has 0 hydrogen bond donor(s) and 6 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 08139169?
The CAS number of BAS 08139169 is 683797-08-2.
What is the molecular formula of BAS 08139169?
The molecular formula of BAS 08139169 is C16H19N5S.
What is the molecular weight of BAS 08139169?
The molecular weight of BAS 08139169 is 313.14 g/mol.
Where can I buy BAS 08139169?
You can request a quote for BAS 08139169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08139169?
Yes, KEHONG BIO provides custom synthesis services for BAS 08139169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.