A3421/0145161
TL;DR: A3421/0145161 (CAS 556820-74-7) is a chemical compound with molecular formula C27H25N7O2S and molecular weight 511.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
Also Known As: A3421/0145161, 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide, 2-{[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide, 2-((4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide, 2-{[4-BENZYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)ACETAMIDE
| Molecular Formula | C27H25N7O2S |
|---|---|
| Molecular Weight | 511.18 g/mol |
| LogP | 3.91702 |
| Topological Polar Surface Area | 99.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 511.17905 |
| Heavy Atoms | 37 |
| Complexity | 1576.0667 |
Chemical Identifiers
| CAS Number | 556820-74-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=NC=C5 |
Product Overview
A3421/0145161 (CAS 556820-74-7), with molecular formula C27H25N7O2S and molecular weight 511.18 g/mol. IUPAC: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
Chemical Property Profile of A3421/0145161
Property Insights of A3421/0145161
The XLogP value of 3.91702 indicates that A3421/0145161 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.63 Ų falls within the moderate polarity range, balancing permeability and solubility for A3421/0145161. Following Lipinski's Rule of Five, A3421/0145161 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3421/0145161?
The CAS number of A3421/0145161 is 556820-74-7.
What is the molecular formula of A3421/0145161?
The molecular formula of A3421/0145161 is C27H25N7O2S.
What is the molecular weight of A3421/0145161?
The molecular weight of A3421/0145161 is 511.18 g/mol.
Where can I buy A3421/0145161?
You can request a quote for A3421/0145161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3421/0145161?
Yes, KEHONG BIO provides custom synthesis services for A3421/0145161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.