BAS 01258277
TL;DR: BAS 01258277 (CAS 301357-25-5) is a chemical compound with molecular formula C15H15N3OS2 and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile
Also Known As: BAS 01258277, AE-848/33852039, [(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile, 2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile, {[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile
| Molecular Formula | C15H15N3OS2 |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 3.13848 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.06564 |
| Heavy Atoms | 21 |
| Complexity | 797.8223 |
Chemical Identifiers
| CAS Number | 301357-25-5 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC#N)SC3=C2CCCC3 |
Product Overview
BAS 01258277 (CAS 301357-25-5), with molecular formula C15H15N3OS2 and molecular weight 317.07 g/mol. IUPAC: 2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile.
Chemical Property Profile of BAS 01258277
Property Insights of BAS 01258277
The XLogP value of 3.13848 indicates that BAS 01258277 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, BAS 01258277 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01258277 has 0 hydrogen bond donor(s) and 5 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 01258277?
The CAS number of BAS 01258277 is 301357-25-5.
What is the molecular formula of BAS 01258277?
The molecular formula of BAS 01258277 is C15H15N3OS2.
What is the molecular weight of BAS 01258277?
The molecular weight of BAS 01258277 is 317.07 g/mol.
Where can I buy BAS 01258277?
You can request a quote for BAS 01258277 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01258277?
Yes, KEHONG BIO provides custom synthesis services for BAS 01258277 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.