RefChem:240404
TL;DR: RefChem:240404 (CAS 101001-50-7) is a chemical compound with molecular formula C26H22N2O4S and molecular weight 458.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate
Also Known As: 2-Propynyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate, 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-, 2-propynyl ester, Propargyl 2-(4,5-bis(4-methoxyphenyl)thiazol-2-yl)pyrrole-1-acetate, 1H-Pyrrole-1-aceticacid, 2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-, 2-propyn-1-yl ester, prop-2-ynyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate
| Molecular Formula | C26H22N2O4S |
|---|---|
| Molecular Weight | 458.13 g/mol |
| LogP | 5.1392 |
| Topological Polar Surface Area | 62.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.13004 |
| Heavy Atoms | 33 |
| Complexity | 1216.3307 |
Chemical Identifiers
| CAS Number | 101001-50-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CN3CC(=O)OCC#C)C4=CC=C(C=C4)OC |
Product Overview
RefChem:240404 (CAS 101001-50-7), with molecular formula C26H22N2O4S and molecular weight 458.13 g/mol. IUPAC: prop-2-ynyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate.
Chemical Property Profile of RefChem:240404
Property Insights of RefChem:240404
The XLogP value of 5.1392 indicates that RefChem:240404 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.58 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:240404. Following Lipinski's Rule of Five, RefChem:240404 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 RefChem:240404?
The CAS number of RefChem:240404 is 101001-50-7.
What is the molecular formula of RefChem:240404?
The molecular formula of RefChem:240404 is C26H22N2O4S.
What is the molecular weight of RefChem:240404?
The molecular weight of RefChem:240404 is 458.13 g/mol.
Where can I buy RefChem:240404?
You can request a quote for RefChem:240404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:240404?
Yes, KEHONG BIO provides custom synthesis services for RefChem:240404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.