ChemDiv2_001356
TL;DR: ChemDiv2_001356 (CAS 511513-82-9) is a chemical compound with molecular formula C13H12N4O3S and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide
Also Known As: ChemDiv2_001356, N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide, N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide
| Molecular Formula | C13H12N4O3S |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.06302 |
| Heavy Atoms | 21 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 511513-82-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)C2CC(=O)N3C=NN=C3S2 |
| InChIKey | BPXXZHVSAQGMTQ-UHFFFAOYSA-N |
Product Overview
ChemDiv2_001356 (CAS 511513-82-9), with molecular formula C13H12N4O3S and molecular weight 304.06 g/mol. IUPAC: N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide.
Chemical Property Profile of ChemDiv2_001356
Property Insights of ChemDiv2_001356
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_001356. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001356. Following Lipinski's Rule of Five, ChemDiv2_001356 has 1 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 ChemDiv2_001356?
The CAS number of ChemDiv2_001356 is 511513-82-9.
What is the molecular formula of ChemDiv2_001356?
The molecular formula of ChemDiv2_001356 is C13H12N4O3S.
What is the molecular weight of ChemDiv2_001356?
The molecular weight of ChemDiv2_001356 is 304.06 g/mol.
Where can I buy ChemDiv2_001356?
You can request a quote for ChemDiv2_001356 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001356?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001356 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.