AB00672297-01
TL;DR: AB00672297-01 (CAS 393874-77-6) is a chemical compound with molecular formula C25H26BrN7O3S2 and molecular weight 615.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-bromophenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-butoxybenzamide
Also Known As: AB00672297-01, F0721-0674, N-((4-(4-bromophenyl)-5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-butoxybenzamide, N-{[4-(4-bromophenyl)-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-butoxybenzamide, N-[[4-(4-bromophenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-butoxybenzamide
| Molecular Formula | C25H26BrN7O3S2 |
|---|---|
| Molecular Weight | 615.07 g/mol |
| LogP | 5.02942 |
| Topological Polar Surface Area | 123.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 615.0722 |
| Heavy Atoms | 38 |
| Complexity | 1374.622 |
Chemical Identifiers
| CAS Number | 393874-77-6 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NC4=NN=C(S4)C |
Product Overview
AB00672297-01 (CAS 393874-77-6), with molecular formula C25H26BrN7O3S2 and molecular weight 615.07 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-butoxybenzamide.
Chemical Property Profile of AB00672297-01
Property Insights of AB00672297-01
The XLogP value of 5.02942 indicates that AB00672297-01 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 AB00672297-01. Following Lipinski's Rule of Five, AB00672297-01 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 AB00672297-01?
The CAS number of AB00672297-01 is 393874-77-6.
What is the molecular formula of AB00672297-01?
The molecular formula of AB00672297-01 is C25H26BrN7O3S2.
What is the molecular weight of AB00672297-01?
The molecular weight of AB00672297-01 is 615.07 g/mol.
Where can I buy AB00672297-01?
You can request a quote for AB00672297-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672297-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672297-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.