AB00091765-01
TL;DR: AB00091765-01 (CAS 5650-46-4) is a chemical compound with molecular formula C16H14N2O3S2 and molecular weight 346.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetonitrile
Also Known As: AB00091765-01, {4-[(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy}acetonitrile, 2-[2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetonitrile, 2-[2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-thiazolidin-5-ylidene)methyl]phenoxy]acetonitrile, 2-{2-methoxy-4-[(4-oxo-3-prop-2-enyl-2-thioxo(1,3-thiazolidin-5-ylidene))methy l]phenoxy}ethanenitrile
| Molecular Formula | C16H14N2O3S2 |
|---|---|
| Molecular Weight | 346.04 g/mol |
| LogP | 2.98478 |
| Topological Polar Surface Area | 62.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.0446 |
| Heavy Atoms | 23 |
| Complexity | 722.5258 |
Chemical Identifiers
| CAS Number | 5650-46-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC=C)OCC#N |
Product Overview
AB00091765-01 (CAS 5650-46-4), with molecular formula C16H14N2O3S2 and molecular weight 346.04 g/mol. IUPAC: 2-[2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetonitrile.
Chemical Property Profile of AB00091765-01
Property Insights of AB00091765-01
The XLogP value of 2.98478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00091765-01. The TPSA of 62.56 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00091765-01. Following Lipinski's Rule of Five, AB00091765-01 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 AB00091765-01?
The CAS number of AB00091765-01 is 5650-46-4.
What is the molecular formula of AB00091765-01?
The molecular formula of AB00091765-01 is C16H14N2O3S2.
What is the molecular weight of AB00091765-01?
The molecular weight of AB00091765-01 is 346.04 g/mol.
Where can I buy AB00091765-01?
You can request a quote for AB00091765-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00091765-01?
Yes, KEHONG BIO provides custom synthesis services for AB00091765-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.