AB01327658-02
TL;DR: AB01327658-02 (CAS 872867-66-8) is a chemical compound with molecular formula C19H14N2OS and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzothiazol-2-yl)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile
Also Known As: AB01327658-02, (2E)-2-(1,3-benzothiazol-2-yl)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile, (E)-2-(benzo[d]thiazol-2-yl)-3-(2-methyl-2,3-dihydrobenzofuran-5-yl)acrylonitrile, (E)-2-(1,3-benzothiazol-2-yl)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile
| Molecular Formula | C19H14N2OS |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 4.68388 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.08267 |
| Heavy Atoms | 23 |
| Complexity | 931.9052 |
Chemical Identifiers
| CAS Number | 872867-66-8 |
|---|---|
| SMILES | CC1CC2=C(O1)C=CC(=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3 |
Product Overview
AB01327658-02 (CAS 872867-66-8), with molecular formula C19H14N2OS and molecular weight 318.08 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile.
Chemical Property Profile of AB01327658-02
Property Insights of AB01327658-02
The XLogP value of 4.68388 indicates that AB01327658-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, AB01327658-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01327658-02 has 0 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 AB01327658-02?
The CAS number of AB01327658-02 is 872867-66-8.
What is the molecular formula of AB01327658-02?
The molecular formula of AB01327658-02 is C19H14N2OS.
What is the molecular weight of AB01327658-02?
The molecular weight of AB01327658-02 is 318.08 g/mol.
Where can I buy AB01327658-02?
You can request a quote for AB01327658-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01327658-02?
Yes, KEHONG BIO provides custom synthesis services for AB01327658-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.