AN-989/40746701
TL;DR: AN-989/40746701 (CAS 430445-87-7) is a chemical compound with molecular formula C27H23NO6S and molecular weight 489.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzoic acid
Also Known As: AN-989/40746701, 4-({4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy}methyl)benzoic acid, 4-[[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzoic acid, (Z)-4-((4-((3-benzyl-2,4-dioxothiazolidin-5-ylidene)methyl)-2-ethoxyphenoxy)methyl)benzoic acid, 4-((4-((3-benzyl-2,4-dioxothiazolidin-5-ylidene)methyl)-2-ethoxyphenoxy)methyl)benzoic acid
| Molecular Formula | C27H23NO6S |
|---|---|
| Molecular Weight | 489.12 g/mol |
| LogP | 5.599 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.1246 |
| Heavy Atoms | 35 |
| Complexity | 1270.5887 |
Chemical Identifiers
| CAS Number | 430445-87-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)OCC4=CC=C(C=C4)C(=O)O |
Product Overview
AN-989/40746701 (CAS 430445-87-7), with molecular formula C27H23NO6S and molecular weight 489.12 g/mol. IUPAC: 4-[[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of AN-989/40746701
Property Insights of AN-989/40746701
The XLogP value of 5.599 indicates that AN-989/40746701 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 AN-989/40746701. Following Lipinski's Rule of Five, AN-989/40746701 has 1 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 AN-989/40746701?
The CAS number of AN-989/40746701 is 430445-87-7.
What is the molecular formula of AN-989/40746701?
The molecular formula of AN-989/40746701 is C27H23NO6S.
What is the molecular weight of AN-989/40746701?
The molecular weight of AN-989/40746701 is 489.12 g/mol.
Where can I buy AN-989/40746701?
You can request a quote for AN-989/40746701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40746701?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40746701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.