ChemDiv3_008543
TL;DR: ChemDiv3_008543 (CAS 689751-89-1) is a chemical compound with molecular formula C19H25N5O5S2 and molecular weight 467.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-methyl-5-[[(4-piperidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ChemDiv3_008543, IDI1_026453, BRD-K29410428-001-01-5, methyl 2-((4-methyl-5-((4-(piperidin-1-ylsulfonyl)benzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-{[4-methyl-5-({[4-(piperidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C19H25N5O5S2 |
|---|---|
| Molecular Weight | 467.13 g/mol |
| LogP | 1.1848 |
| Topological Polar Surface Area | 123.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.1297 |
| Heavy Atoms | 31 |
| Complexity | 1030.458 |
Chemical Identifiers
| CAS Number | 689751-89-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 |
Product Overview
ChemDiv3_008543 (CAS 689751-89-1), with molecular formula C19H25N5O5S2 and molecular weight 467.13 g/mol. IUPAC: methyl 2-[[4-methyl-5-[[(4-piperidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv3_008543
Property Insights of ChemDiv3_008543
The XLogP value of 1.1848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_008543. The TPSA of 123.49 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_008543. Following Lipinski's Rule of Five, ChemDiv3_008543 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 ChemDiv3_008543?
The CAS number of ChemDiv3_008543 is 689751-89-1.
What is the molecular formula of ChemDiv3_008543?
The molecular formula of ChemDiv3_008543 is C19H25N5O5S2.
What is the molecular weight of ChemDiv3_008543?
The molecular weight of ChemDiv3_008543 is 467.13 g/mol.
Where can I buy ChemDiv3_008543?
You can request a quote for ChemDiv3_008543 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008543?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008543 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.