AB00667977-01
TL;DR: AB00667977-01 (CAS 393841-32-2) is a chemical compound with molecular formula C25H27N7O2S2 and molecular weight 521.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: AB00667977-01, F0507-1999, 4-(tert-butyl)-N-((5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide, 4-tert-butyl-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide, 4-tert-butyl-N-[[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C25H27N7O2S2 |
|---|---|
| Molecular Weight | 521.17 g/mol |
| LogP | 4.38552 |
| Topological Polar Surface Area | 114.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.16675 |
| Heavy Atoms | 36 |
| Complexity | 1342.9973 |
Chemical Identifiers
| CAS Number | 393841-32-2 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
AB00667977-01 (CAS 393841-32-2), with molecular formula C25H27N7O2S2 and molecular weight 521.17 g/mol. IUPAC: 4-tert-butyl-N-[[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of AB00667977-01
Property Insights of AB00667977-01
The XLogP value of 4.38552 indicates that AB00667977-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.69 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00667977-01. Following Lipinski's Rule of Five, AB00667977-01 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00667977-01?
The CAS number of AB00667977-01 is 393841-32-2.
What is the molecular formula of AB00667977-01?
The molecular formula of AB00667977-01 is C25H27N7O2S2.
What is the molecular weight of AB00667977-01?
The molecular weight of AB00667977-01 is 521.17 g/mol.
Where can I buy AB00667977-01?
You can request a quote for AB00667977-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00667977-01?
Yes, KEHONG BIO provides custom synthesis services for AB00667977-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.