AB00106839-01
TL;DR: AB00106839-01 (CAS 6390-01-8) is a chemical compound with molecular formula C14H13NO5S and molecular weight 307.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]propanoic acid
Also Known As: AB00106839-01, 2-[4-[(E)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]propanoic acid, 2-{4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}propanoic acid, 2-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]propanoic Acid, 2-{4-[(E)-(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}propanoic acid
| Molecular Formula | C14H13NO5S |
|---|---|
| Molecular Weight | 307.05 g/mol |
| LogP | 2.2046 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.05145 |
| Heavy Atoms | 21 |
| Complexity | 622.7565 |
Chemical Identifiers
| CAS Number | 6390-01-8 |
|---|---|
| SMILES | CC(C(=O)O)OC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)C |
Product Overview
AB00106839-01 (CAS 6390-01-8), with molecular formula C14H13NO5S and molecular weight 307.05 g/mol. IUPAC: 2-[4-[(E)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]propanoic acid.
Chemical Property Profile of AB00106839-01
Property Insights of AB00106839-01
The XLogP value of 2.2046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00106839-01. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00106839-01. Following Lipinski's Rule of Five, AB00106839-01 has 1 hydrogen bond donor(s) and 5 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 AB00106839-01?
The CAS number of AB00106839-01 is 6390-01-8.
What is the molecular formula of AB00106839-01?
The molecular formula of AB00106839-01 is C14H13NO5S.
What is the molecular weight of AB00106839-01?
The molecular weight of AB00106839-01 is 307.05 g/mol.
Where can I buy AB00106839-01?
You can request a quote for AB00106839-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106839-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106839-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.