2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate
TL;DR: 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate (CAS 101001-43-8) is a chemical compound with molecular formula C28H30N2O4S and molecular weight 490.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbutyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate
Also Known As: 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate, 2-Methyl-1-butyl 2-(4,5-bis(4-methoxyphenyl)thiazol-2-yl)pyrrole-1-acetate, 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-, 2-methylbutyl ester, 2-methylbutyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate, 2-Methylbutyl {2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}acetate
| Molecular Formula | C28H30N2O4S |
|---|---|
| Molecular Weight | 490.19 g/mol |
| LogP | 6.5521 |
| Topological Polar Surface Area | 62.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 490.19263 |
| Heavy Atoms | 35 |
| Complexity | 1194.1166 |
Chemical Identifiers
| CAS Number | 101001-43-8 |
|---|---|
| SMILES | CCC(C)COC(=O)CN1C=CC=C1C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC |
Product Overview
2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate (CAS 101001-43-8), with molecular formula C28H30N2O4S and molecular weight 490.19 g/mol. IUPAC: 2-methylbutyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate.
Chemical Property Profile of 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate
Property Insights of 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate
The XLogP value of 6.5521 indicates that 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate 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 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate. Following Lipinski's Rule of Five, 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate 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 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate?
The CAS number of 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate is 101001-43-8.
What is the molecular formula of 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate?
The molecular formula of 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate is C28H30N2O4S.
What is the molecular weight of 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate?
The molecular weight of 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate is 490.19 g/mol.
Where can I buy 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate?
You can request a quote for 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.