AB00108291-01
TL;DR: AB00108291-01 (CAS 428471-14-1) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
Also Known As: AB00108291-01, (5E)-5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione, (5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-3-methyl-1,3-thiazolidine-2,4-dione, 5-{(E)-1-[1-(4-METHOXYPHENYL)-1H-PYRROL-2-YL]METHYLIDENE}-3-METHYL-1,3-THIAZOLANE-2,4-DIONE
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 3.152 |
| Topological Polar Surface Area | 51.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 761.95306 |
Chemical Identifiers
| CAS Number | 428471-14-1 |
|---|---|
| SMILES | CN1C(=O)/C(=C\C2=CC=CN2C3=CC=C(C=C3)OC)/SC1=O |
Product Overview
AB00108291-01 (CAS 428471-14-1), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: (5E)-5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AB00108291-01
Property Insights of AB00108291-01
The XLogP value of 3.152 indicates that AB00108291-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.54 Ų, AB00108291-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00108291-01 has 0 hydrogen bond donor(s) and 4 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 AB00108291-01?
The CAS number of AB00108291-01 is 428471-14-1.
What is the molecular formula of AB00108291-01?
The molecular formula of AB00108291-01 is C16H14N2O3S.
What is the molecular weight of AB00108291-01?
The molecular weight of AB00108291-01 is 314.07 g/mol.
Where can I buy AB00108291-01?
You can request a quote for AB00108291-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00108291-01?
Yes, KEHONG BIO provides custom synthesis services for AB00108291-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.