AN-989/41696552
TL;DR: AN-989/41696552 (CAS 591746-75-7) is a chemical compound with molecular formula C22H20N2O7S and molecular weight 456.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-[5-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
Also Known As: AN-989/41696552, (Z)-3-Methyl-4-(5-((3-(2-morpholino-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid, 3-methyl-4-[5-({3-[2-(4-morpholinyl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-furyl]benzoic acid, 3-methyl-4-[5-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid, 3-Methyl-4-(5-((3-(2-morpholino-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid
| Molecular Formula | C22H20N2O7S |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 2.84832 |
| Topological Polar Surface Area | 117.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.09912 |
| Heavy Atoms | 32 |
| Complexity | 1131.0492 |
Chemical Identifiers
| CAS Number | 591746-75-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)N4CCOCC4 |
Product Overview
AN-989/41696552 (CAS 591746-75-7), with molecular formula C22H20N2O7S and molecular weight 456.10 g/mol. IUPAC: 3-methyl-4-[5-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of AN-989/41696552
Property Insights of AN-989/41696552
The XLogP value of 2.84832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-989/41696552. The TPSA of 117.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/41696552. Following Lipinski's Rule of Five, AN-989/41696552 has 1 hydrogen bond donor(s) and 7 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-989/41696552?
The CAS number of AN-989/41696552 is 591746-75-7.
What is the molecular formula of AN-989/41696552?
The molecular formula of AN-989/41696552 is C22H20N2O7S.
What is the molecular weight of AN-989/41696552?
The molecular weight of AN-989/41696552 is 456.10 g/mol.
Where can I buy AN-989/41696552?
You can request a quote for AN-989/41696552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/41696552?
Yes, KEHONG BIO provides custom synthesis services for AN-989/41696552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.