AB00614313-06
TL;DR: AB00614313-06 (CAS 689751-68-6) is a chemical compound with molecular formula C16H21N5O5S2 and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: AB00614313-06, F0601-0106, methyl 2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C16H21N5O5S2 |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 0.2605 |
| Topological Polar Surface Area | 123.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.09842 |
| Heavy Atoms | 28 |
| Complexity | 954.3046 |
Chemical Identifiers
| CAS Number | 689751-68-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C |
Product Overview
AB00614313-06 (CAS 689751-68-6), with molecular formula C16H21N5O5S2 and molecular weight 427.10 g/mol. IUPAC: methyl 2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of AB00614313-06
Property Insights of AB00614313-06
The XLogP value of 0.2605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00614313-06. The TPSA of 123.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00614313-06. Following Lipinski's Rule of Five, AB00614313-06 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00614313-06?
The CAS number of AB00614313-06 is 689751-68-6.
What is the molecular formula of AB00614313-06?
The molecular formula of AB00614313-06 is C16H21N5O5S2.
What is the molecular weight of AB00614313-06?
The molecular weight of AB00614313-06 is 427.10 g/mol.
Where can I buy AB00614313-06?
You can request a quote for AB00614313-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00614313-06?
Yes, KEHONG BIO provides custom synthesis services for AB00614313-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.