AB00672485-01
TL;DR: AB00672485-01 (CAS 394242-01-4) is a chemical compound with molecular formula C29H35N7O5S2 and molecular weight 625.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(2,3-dimethylphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxybenzamide
Also Known As: AB00672485-01, F0772-1881, N-((4-(2,3-dimethylphenyl)-5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-3,4,5-triethoxybenzamide, N-{[4-(2,3-dimethylphenyl)-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-triethoxybenzamide, N-[[4-(2,3-dimethylphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxybenzamide
| Molecular Formula | C29H35N7O5S2 |
|---|---|
| Molecular Weight | 625.21 g/mol |
| LogP | 4.90096 |
| Topological Polar Surface Area | 142.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 625.2141 |
| Heavy Atoms | 43 |
| Complexity | 1560.1505 |
Chemical Identifiers
| CAS Number | 394242-01-4 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=NN=C(N2C3=CC=CC(=C3C)C)SCC(=O)NC4=NN=C(S4)C |
Product Overview
AB00672485-01 (CAS 394242-01-4), with molecular formula C29H35N7O5S2 and molecular weight 625.21 g/mol. IUPAC: N-[[4-(2,3-dimethylphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxybenzamide.
Chemical Property Profile of AB00672485-01
Property Insights of AB00672485-01
The XLogP value of 4.90096 indicates that AB00672485-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.38 Ų indicates high polarity, suggesting AB00672485-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00672485-01 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00672485-01?
The CAS number of AB00672485-01 is 394242-01-4.
What is the molecular formula of AB00672485-01?
The molecular formula of AB00672485-01 is C29H35N7O5S2.
What is the molecular weight of AB00672485-01?
The molecular weight of AB00672485-01 is 625.21 g/mol.
Where can I buy AB00672485-01?
You can request a quote for AB00672485-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672485-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672485-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.