A3795/0161135
TL;DR: A3795/0161135 (CAS 727684-83-5) is a chemical compound with molecular formula C17H14N6O3S2 and molecular weight 414.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(1-oxophthalazin-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide
Also Known As: A3795/0161135, 4-[3-[(1-oxophthalazin-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide, 4-(3-{[1-OXO-2(1H)-PHTHALAZINYL]METHYL}-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)-1-BENZENESULFONAMIDE, 4-(3-mercapto-5-((1-oxophthalazin-2(1H)-yl)methyl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide, 4-{3-[(1-oxophthalazin-2(1H)-yl)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzenesulfonamide
| Molecular Formula | C17H14N6O3S2 |
|---|---|
| Molecular Weight | 414.06 g/mol |
| LogP | 1.33549 |
| Topological Polar Surface Area | 128.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.0569 |
| Heavy Atoms | 28 |
| Complexity | 1401.3546 |
Chemical Identifiers
| CAS Number | 727684-83-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=C(C=C4)S(=O)(=O)N |
Product Overview
A3795/0161135 (CAS 727684-83-5), with molecular formula C17H14N6O3S2 and molecular weight 414.06 g/mol. IUPAC: 4-[3-[(1-oxophthalazin-2-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide.
Chemical Property Profile of A3795/0161135
Property Insights of A3795/0161135
The XLogP value of 1.33549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3795/0161135. The TPSA of 128.66 Ų falls within the moderate polarity range, balancing permeability and solubility for A3795/0161135. Following Lipinski's Rule of Five, A3795/0161135 has 2 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 A3795/0161135?
The CAS number of A3795/0161135 is 727684-83-5.
What is the molecular formula of A3795/0161135?
The molecular formula of A3795/0161135 is C17H14N6O3S2.
What is the molecular weight of A3795/0161135?
The molecular weight of A3795/0161135 is 414.06 g/mol.
Where can I buy A3795/0161135?
You can request a quote for A3795/0161135 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3795/0161135?
Yes, KEHONG BIO provides custom synthesis services for A3795/0161135 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.