AB00668033-01
TL;DR: AB00668033-01 (CAS 476434-22-7) is a chemical compound with molecular formula C22H20ClN7O3S2 and molecular weight 529.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(2-chlorophenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
Also Known As: AB00668033-01, F0528-0370, N-((4-(2-chlorophenyl)-5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide, N-{[4-(2-chlorophenyl)-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide, N-[[4-(2-chlorophenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
| Molecular Formula | C22H20ClN7O3S2 |
|---|---|
| Molecular Weight | 529.08 g/mol |
| LogP | 3.75002 |
| Topological Polar Surface Area | 123.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 529.07574 |
| Heavy Atoms | 35 |
| Complexity | 1341.0852 |
Chemical Identifiers
| CAS Number | 476434-22-7 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3Cl)CNC(=O)C4=CC=C(C=C4)OC |
Product Overview
AB00668033-01 (CAS 476434-22-7), with molecular formula C22H20ClN7O3S2 and molecular weight 529.08 g/mol. IUPAC: N-[[4-(2-chlorophenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide.
Chemical Property Profile of AB00668033-01
Property Insights of AB00668033-01
The XLogP value of 3.75002 indicates that AB00668033-01 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 AB00668033-01. Following Lipinski's Rule of Five, AB00668033-01 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 AB00668033-01?
The CAS number of AB00668033-01 is 476434-22-7.
What is the molecular formula of AB00668033-01?
The molecular formula of AB00668033-01 is C22H20ClN7O3S2.
What is the molecular weight of AB00668033-01?
The molecular weight of AB00668033-01 is 529.08 g/mol.
Where can I buy AB00668033-01?
You can request a quote for AB00668033-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668033-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668033-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.