CDS1_003377
TL;DR: CDS1_003377 (CAS 313362-41-3) is a chemical compound with molecular formula C16H18N6O2 and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]iminomethyl]-2-methoxyphenol
Also Known As: CDS1_003377, 5-[(E)-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl]-2-methoxyphenol, (E)-5-(((3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)imino)methyl)-2-methoxyphenol, 5-{(1E)-2-[3-(3,5-dimethylpyrazolyl)-5-methyl(1,2,4-triazol-4-yl)]-2-azavinyl} -2-methoxyphenol
| Molecular Formula | C16H18N6O2 |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 1.98546 |
| Topological Polar Surface Area | 90.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.1491 |
| Heavy Atoms | 24 |
| Complexity | 909.4311 |
Chemical Identifiers
| CAS Number | 313362-41-3 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NN=C(N2/N=C/C3=CC(=C(C=C3)OC)O)C)C |
Product Overview
CDS1_003377 (CAS 313362-41-3), with molecular formula C16H18N6O2 and molecular weight 326.15 g/mol. IUPAC: 5-[(E)-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]iminomethyl]-2-methoxyphenol.
Chemical Property Profile of CDS1_003377
Property Insights of CDS1_003377
The XLogP value of 1.98546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CDS1_003377. The TPSA of 90.35 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_003377. Following Lipinski's Rule of Five, CDS1_003377 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 CDS1_003377?
The CAS number of CDS1_003377 is 313362-41-3.
What is the molecular formula of CDS1_003377?
The molecular formula of CDS1_003377 is C16H18N6O2.
What is the molecular weight of CDS1_003377?
The molecular weight of CDS1_003377 is 326.15 g/mol.
Where can I buy CDS1_003377?
You can request a quote for CDS1_003377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_003377?
Yes, KEHONG BIO provides custom synthesis services for CDS1_003377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.