C13H12N4O3S
TL;DR: C13H12N4O3S (CAS 892689-56-4) 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.
7-[(3-methoxyphenoxy)methyl]-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Also Known As: 7-((3-methoxyphenoxy)methyl)-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one, 7-[(3-methoxyphenoxy)methyl]-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
| Molecular Formula | C13H12N4O3S |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | 1.44202 |
| Topological Polar Surface Area | 78.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.06302 |
| Heavy Atoms | 21 |
| Complexity | 842.7938 |
Chemical Identifiers
| CAS Number | 892689-56-4 |
|---|---|
| SMILES | CC1=NN=C2N(C1=O)N=C(S2)COC3=CC=CC(=C3)OC |
Product Overview
C13H12N4O3S (CAS 892689-56-4), with molecular formula C13H12N4O3S and molecular weight 304.06 g/mol. IUPAC: 7-[(3-methoxyphenoxy)methyl]-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
Chemical Property Profile of C13H12N4O3S
Property Insights of C13H12N4O3S
The XLogP value of 1.44202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C13H12N4O3S. The TPSA of 78.61 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H12N4O3S. Following Lipinski's Rule of Five, C13H12N4O3S has 0 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 C13H12N4O3S?
The CAS number of C13H12N4O3S is 892689-56-4.
What is the molecular formula of C13H12N4O3S?
The molecular formula of C13H12N4O3S is C13H12N4O3S.
What is the molecular weight of C13H12N4O3S?
The molecular weight of C13H12N4O3S is 304.06 g/mol.
Where can I buy C13H12N4O3S?
You can request a quote for C13H12N4O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H12N4O3S?
Yes, KEHONG BIO provides custom synthesis services for C13H12N4O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.