AB00105404-01
TL;DR: AB00105404-01 (CAS 348577-31-1) is a chemical compound with molecular formula C19H14BrNO6S and molecular weight 462.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-bromo-4-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid
Also Known As: AB00105404-01, (Z)-2-(5-bromo-4-((2,4-dioxo-3-phenylthiazolidin-5-ylidene)methyl)-2-methoxyphenoxy)acetic acid, {5-bromo-4-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy}acetic acid, {5-bromo-4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy}acetic acid, 2-[5-bromo-4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]-2-methoxy-phenoxy]acetic Acid
| Molecular Formula | C19H14BrNO6S |
|---|---|
| Molecular Weight | 462.97 g/mol |
| LogP | 4.162 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.97253 |
| Heavy Atoms | 28 |
| Complexity | 975.88916 |
Chemical Identifiers
| CAS Number | 348577-31-1 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)C3=CC=CC=C3)Br)OCC(=O)O |
Product Overview
AB00105404-01 (CAS 348577-31-1), with molecular formula C19H14BrNO6S and molecular weight 462.97 g/mol. IUPAC: 2-[5-bromo-4-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid.
Chemical Property Profile of AB00105404-01
Property Insights of AB00105404-01
The XLogP value of 4.162 indicates that AB00105404-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105404-01. Following Lipinski's Rule of Five, AB00105404-01 has 1 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 AB00105404-01?
The CAS number of AB00105404-01 is 348577-31-1.
What is the molecular formula of AB00105404-01?
The molecular formula of AB00105404-01 is C19H14BrNO6S.
What is the molecular weight of AB00105404-01?
The molecular weight of AB00105404-01 is 462.97 g/mol.
Where can I buy AB00105404-01?
You can request a quote for AB00105404-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105404-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105404-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.