BAS 01279713
TL;DR: BAS 01279713 (CAS 5489-73-6) is a chemical compound with molecular formula C29H20N2O4S and molecular weight 492.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: BAS 01279713, (Z)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-[3-(benzyloxy)-4-methoxyphenyl]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile, (2Z)-3-[3-(Benzyloxy)-4-methoxyphenyl]-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C29H20N2O4S |
|---|---|
| Molecular Weight | 492.11 g/mol |
| LogP | 6.56828 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.11438 |
| Heavy Atoms | 36 |
| Complexity | 1662.5887 |
Chemical Identifiers
| CAS Number | 5489-73-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C(/C#N)\C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)OCC5=CC=CC=C5 |
Product Overview
BAS 01279713 (CAS 5489-73-6), with molecular formula C29H20N2O4S and molecular weight 492.11 g/mol. IUPAC: (Z)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of BAS 01279713
Property Insights of BAS 01279713
The XLogP value of 6.56828 indicates that BAS 01279713 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01279713. Following Lipinski's Rule of Five, BAS 01279713 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01279713?
The CAS number of BAS 01279713 is 5489-73-6.
What is the molecular formula of BAS 01279713?
The molecular formula of BAS 01279713 is C29H20N2O4S.
What is the molecular weight of BAS 01279713?
The molecular weight of BAS 01279713 is 492.11 g/mol.
Where can I buy BAS 01279713?
You can request a quote for BAS 01279713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01279713?
Yes, KEHONG BIO provides custom synthesis services for BAS 01279713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.