AN-989/40746654
TL;DR: AN-989/40746654 (CAS 430442-66-3) is a chemical compound with molecular formula C20H16BrNO6S and molecular weight 476.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-5-bromo-2-methoxyphenoxy]acetic acid
Also Known As: AN-989/40746654, AB00112245-01, {4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-5-bromo-2-methoxyphenoxy}acetic acid, {4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-5-bromo-2-methoxyphenoxy}acetic acid, 2-[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-5-bromo-2-methoxyphenoxy]acetic acid
| Molecular Formula | C20H16BrNO6S |
|---|---|
| Molecular Weight | 476.99 g/mol |
| LogP | 4.1576 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.98816 |
| Heavy Atoms | 29 |
| Complexity | 991.966 |
Chemical Identifiers
| CAS Number | 430442-66-3 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)Br)OCC(=O)O |
Product Overview
AN-989/40746654 (CAS 430442-66-3), with molecular formula C20H16BrNO6S and molecular weight 476.99 g/mol. IUPAC: 2-[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-5-bromo-2-methoxyphenoxy]acetic acid.
Chemical Property Profile of AN-989/40746654
Property Insights of AN-989/40746654
The XLogP value of 4.1576 indicates that AN-989/40746654 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-989/40746654. Following Lipinski's Rule of Five, AN-989/40746654 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 AN-989/40746654?
The CAS number of AN-989/40746654 is 430442-66-3.
What is the molecular formula of AN-989/40746654?
The molecular formula of AN-989/40746654 is C20H16BrNO6S.
What is the molecular weight of AN-989/40746654?
The molecular weight of AN-989/40746654 is 476.99 g/mol.
Where can I buy AN-989/40746654?
You can request a quote for AN-989/40746654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40746654?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40746654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.