A2394/0101359
TL;DR: A2394/0101359 (CAS 381679-67-0) is a chemical compound with molecular formula C20H21N5O5S2 and molecular weight 475.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitrophenyl]sulfonylmorpholine
Also Known As: A2394/0101359, 4-[2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitrophenyl]sulfonylmorpholine, 2-[(5-BENZYL-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-5-NITROPHENYL MORPHOLINO SULFONE, 4-({2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrophenyl}sulfonyl)morpholine
| Molecular Formula | C20H21N5O5S2 |
|---|---|
| Molecular Weight | 475.10 g/mol |
| LogP | 2.4862 |
| Topological Polar Surface Area | 120.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.09842 |
| Heavy Atoms | 32 |
| Complexity | 1224.4324 |
Chemical Identifiers
| CAS Number | 381679-67-0 |
|---|---|
| SMILES | CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4 |
Product Overview
A2394/0101359 (CAS 381679-67-0), with molecular formula C20H21N5O5S2 and molecular weight 475.10 g/mol. IUPAC: 4-[2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitrophenyl]sulfonylmorpholine.
Chemical Property Profile of A2394/0101359
Property Insights of A2394/0101359
The XLogP value of 2.4862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2394/0101359. The TPSA of 120.46 Ų falls within the moderate polarity range, balancing permeability and solubility for A2394/0101359. Following Lipinski's Rule of Five, A2394/0101359 has 0 hydrogen bond donor(s) and 8 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 A2394/0101359?
The CAS number of A2394/0101359 is 381679-67-0.
What is the molecular formula of A2394/0101359?
The molecular formula of A2394/0101359 is C20H21N5O5S2.
What is the molecular weight of A2394/0101359?
The molecular weight of A2394/0101359 is 475.10 g/mol.
Where can I buy A2394/0101359?
You can request a quote for A2394/0101359 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2394/0101359?
Yes, KEHONG BIO provides custom synthesis services for A2394/0101359 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.