A3100/0131255
TL;DR: A3100/0131255 (CAS 487031-15-2) is a chemical compound with molecular formula C22H21N3O6S and molecular weight 455.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[(3,4-dimethoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Also Known As: A3100/0131255, (Z)-6-(3,4-dimethoxybenzylidene)-3-(3,4,5-trimethoxyphenyl)thiazolo[2,3-c][1,2,4]triazol-5(6H)-one, (6Z)-6-(3,4-dimethoxybenzylidene)-3-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one, (6Z)-6-[(3,4-dimethoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
| Molecular Formula | C22H21N3O6S |
|---|---|
| Molecular Weight | 455.12 g/mol |
| LogP | 2.4087 |
| Topological Polar Surface Area | 93.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.1151 |
| Heavy Atoms | 32 |
| Complexity | 1369.9148 |
Chemical Identifiers
| CAS Number | 487031-15-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=O)N3C(=NN=C3S2)C4=CC(=C(C(=C4)OC)OC)OC)OC |
Product Overview
A3100/0131255 (CAS 487031-15-2), with molecular formula C22H21N3O6S and molecular weight 455.12 g/mol. IUPAC: (6Z)-6-[(3,4-dimethoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
Chemical Property Profile of A3100/0131255
Property Insights of A3100/0131255
The XLogP value of 2.4087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3100/0131255. The TPSA of 93.41 Ų falls within the moderate polarity range, balancing permeability and solubility for A3100/0131255. Following Lipinski's Rule of Five, A3100/0131255 has 0 hydrogen bond donor(s) and 9 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 A3100/0131255?
The CAS number of A3100/0131255 is 487031-15-2.
What is the molecular formula of A3100/0131255?
The molecular formula of A3100/0131255 is C22H21N3O6S.
What is the molecular weight of A3100/0131255?
The molecular weight of A3100/0131255 is 455.12 g/mol.
Where can I buy A3100/0131255?
You can request a quote for A3100/0131255 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3100/0131255?
Yes, KEHONG BIO provides custom synthesis services for A3100/0131255 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.