AB00672294-01
TL;DR: AB00672294-01 (CAS 393840-49-8) is a chemical compound with molecular formula C22H20FN7O3S2 and molecular weight 513.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-N-[[4-(2-methoxyphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: AB00672294-01, F0721-0129, 3-fluoro-N-((4-(2-methoxyphenyl)-5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide, 3-fluoro-N-[[4-(2-methoxyphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide, 3-fluoro-N-{[4-(2-methoxyphenyl)-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C22H20FN7O3S2 |
|---|---|
| Molecular Weight | 513.11 g/mol |
| LogP | 3.23572 |
| Topological Polar Surface Area | 123.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 513.1053 |
| Heavy Atoms | 35 |
| Complexity | 1358.3352 |
Chemical Identifiers
| CAS Number | 393840-49-8 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3OC)CNC(=O)C4=CC(=CC=C4)F |
Product Overview
AB00672294-01 (CAS 393840-49-8), with molecular formula C22H20FN7O3S2 and molecular weight 513.11 g/mol. IUPAC: 3-fluoro-N-[[4-(2-methoxyphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of AB00672294-01
Property Insights of AB00672294-01
The XLogP value of 3.23572 indicates that AB00672294-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672294-01. Following Lipinski's Rule of Five, AB00672294-01 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00672294-01?
The CAS number of AB00672294-01 is 393840-49-8.
What is the molecular formula of AB00672294-01?
The molecular formula of AB00672294-01 is C22H20FN7O3S2.
What is the molecular weight of AB00672294-01?
The molecular weight of AB00672294-01 is 513.11 g/mol.
Where can I buy AB00672294-01?
You can request a quote for AB00672294-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672294-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672294-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.