ChemDiv1_000458
TL;DR: ChemDiv1_000458 (CAS 5310-84-9) is a chemical compound with molecular formula C29H22N2O3S and molecular weight 478.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-butoxyphenyl)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: ChemDiv1_000458, (Z)-3-(4-butoxyphenyl)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-(4-butoxyphenyl)-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]acrylonitrile, (2Z)-3-(4-Butoxyphenyl)-2-[4-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C29H22N2O3S |
|---|---|
| Molecular Weight | 478.14 g/mol |
| LogP | 7.31278 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.1351 |
| Heavy Atoms | 35 |
| Complexity | 1639.2449 |
Chemical Identifiers
| CAS Number | 5310-84-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O |
Product Overview
ChemDiv1_000458 (CAS 5310-84-9), with molecular formula C29H22N2O3S and molecular weight 478.14 g/mol. IUPAC: (Z)-3-(4-butoxyphenyl)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of ChemDiv1_000458
Property Insights of ChemDiv1_000458
The XLogP value of 7.31278 indicates that ChemDiv1_000458 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000458. Following Lipinski's Rule of Five, ChemDiv1_000458 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_000458?
The CAS number of ChemDiv1_000458 is 5310-84-9.
What is the molecular formula of ChemDiv1_000458?
The molecular formula of ChemDiv1_000458 is C29H22N2O3S.
What is the molecular weight of ChemDiv1_000458?
The molecular weight of ChemDiv1_000458 is 478.14 g/mol.
Where can I buy ChemDiv1_000458?
You can request a quote for ChemDiv1_000458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000458?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.