AB00979441-01
TL;DR: AB00979441-01 (CAS 378222-72-1) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-6-methyl-2-[(4-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Also Known As: AB00979441-01, (2Z)-6-methyl-2-[(4-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione, (Z)-2-(4-(allyloxy)benzylidene)-6-methyl-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione, (2Z)-6-methyl-2-[4-(prop-2-en-1-yloxy)benzylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, (2Z)-6-METHYL-2-{[4-(PROP-2-EN-1-YLOXY)PHENYL]METHYLIDENE}-2H,3H,7H-[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZINE-3,7-DIONE
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 0.93212 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 1035.3481 |
Chemical Identifiers
| CAS Number | 378222-72-1 |
|---|---|
| SMILES | CC1=NN2C(=O)/C(=C/C3=CC=C(C=C3)OCC=C)/SC2=NC1=O |
Product Overview
AB00979441-01 (CAS 378222-72-1), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: (2Z)-6-methyl-2-[(4-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
Chemical Property Profile of AB00979441-01
Property Insights of AB00979441-01
The XLogP value of 0.93212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00979441-01. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00979441-01. Following Lipinski's Rule of Five, AB00979441-01 has 0 hydrogen bond donor(s) and 6 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 AB00979441-01?
The CAS number of AB00979441-01 is 378222-72-1.
What is the molecular formula of AB00979441-01?
The molecular formula of AB00979441-01 is C16H13N3O3S.
What is the molecular weight of AB00979441-01?
The molecular weight of AB00979441-01 is 327.07 g/mol.
Where can I buy AB00979441-01?
You can request a quote for AB00979441-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00979441-01?
Yes, KEHONG BIO provides custom synthesis services for AB00979441-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.