AB00672295-01
TL;DR: AB00672295-01 (CAS 393873-08-0) is a chemical compound with molecular formula C23H19F3N8O4S2 and molecular weight 592.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide
Also Known As: AB00672295-01, 2-methyl-N-((5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)-3-nitrobenzamide, F0721-0496, 2-methyl-N-[[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide, 2-methyl-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide
| Molecular Formula | C23H19F3N8O4S2 |
|---|---|
| Molecular Weight | 592.09 g/mol |
| LogP | 4.32344 |
| Topological Polar Surface Area | 157.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 592.0923 |
| Heavy Atoms | 40 |
| Complexity | 1588.2941 |
Chemical Identifiers
| CAS Number | 393873-08-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC(=O)NC4=NN=C(S4)C |
Product Overview
AB00672295-01 (CAS 393873-08-0), with molecular formula C23H19F3N8O4S2 and molecular weight 592.09 g/mol. IUPAC: 2-methyl-N-[[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide.
Chemical Property Profile of AB00672295-01
Property Insights of AB00672295-01
The XLogP value of 4.32344 indicates that AB00672295-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.83 Ų indicates high polarity, suggesting AB00672295-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00672295-01 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00672295-01?
The CAS number of AB00672295-01 is 393873-08-0.
What is the molecular formula of AB00672295-01?
The molecular formula of AB00672295-01 is C23H19F3N8O4S2.
What is the molecular weight of AB00672295-01?
The molecular weight of AB00672295-01 is 592.09 g/mol.
Where can I buy AB00672295-01?
You can request a quote for AB00672295-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672295-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672295-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.