BAS 03789957
TL;DR: BAS 03789957 (CAS 384373-93-7) is a chemical compound with molecular formula C17H21N5S and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile
Also Known As: BAS 03789957, [4-(6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile, 2-(4-(6-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)acetonitrile, 2-[4-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile, 2-[4-(6-methyl-5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-yl)pipera zinyl]ethanenitrile
| Molecular Formula | C17H21N5S |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 2.46168 |
| Topological Polar Surface Area | 56.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.15176 |
| Heavy Atoms | 23 |
| Complexity | 754.16486 |
Chemical Identifiers
| CAS Number | 384373-93-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)C3=C(N=CN=C3S2)N4CCN(CC4)CC#N |
Product Overview
BAS 03789957 (CAS 384373-93-7), with molecular formula C17H21N5S and molecular weight 327.15 g/mol. IUPAC: 2-[4-(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile.
Chemical Property Profile of BAS 03789957
Property Insights of BAS 03789957
The XLogP value of 2.46168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03789957. With a topological polar surface area (TPSA) of 56.05 Ų, BAS 03789957 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03789957 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 03789957?
The CAS number of BAS 03789957 is 384373-93-7.
What is the molecular formula of BAS 03789957?
The molecular formula of BAS 03789957 is C17H21N5S.
What is the molecular weight of BAS 03789957?
The molecular weight of BAS 03789957 is 327.15 g/mol.
Where can I buy BAS 03789957?
You can request a quote for BAS 03789957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03789957?
Yes, KEHONG BIO provides custom synthesis services for BAS 03789957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.