AB00115082-01
TL;DR: AB00115082-01 (CAS 315694-00-9) is a chemical compound with molecular formula C20H15NO6S2 and molecular weight 429.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: AB00115082-01, (E)-2-(2-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid, F0863-0507, 2-(2-{[(5E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid, 2-[2-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
| Molecular Formula | C20H15NO6S2 |
|---|---|
| Molecular Weight | 429.03 g/mol |
| LogP | 3.327 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.0341 |
| Heavy Atoms | 29 |
| Complexity | 1035.3816 |
Chemical Identifiers
| CAS Number | 315694-00-9 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C(=O)/C(=C\C4=CC=CC=C4OCC(=O)O)/SC3=S |
Product Overview
AB00115082-01 (CAS 315694-00-9), with molecular formula C20H15NO6S2 and molecular weight 429.03 g/mol. IUPAC: 2-[2-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of AB00115082-01
Property Insights of AB00115082-01
The XLogP value of 3.327 indicates that AB00115082-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115082-01. Following Lipinski's Rule of Five, AB00115082-01 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 AB00115082-01?
The CAS number of AB00115082-01 is 315694-00-9.
What is the molecular formula of AB00115082-01?
The molecular formula of AB00115082-01 is C20H15NO6S2.
What is the molecular weight of AB00115082-01?
The molecular weight of AB00115082-01 is 429.03 g/mol.
Where can I buy AB00115082-01?
You can request a quote for AB00115082-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115082-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115082-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.