F2007-0102
TL;DR: F2007-0102 (CAS 872994-44-0) is a chemical compound with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(2-benzamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetate
Also Known As: F2007-0102, methyl 2-((3-(2-benzamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate, methyl 2-[[3-(2-benzamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetate, methyl 2-({3-[2-(phenylformamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetate
| Molecular Formula | C17H17N5O3S |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 1.3619 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.10522 |
| Heavy Atoms | 26 |
| Complexity | 913.1622 |
Chemical Identifiers
| CAS Number | 872994-44-0 |
|---|---|
| SMILES | COC(=O)CSC1=NN2C(=NN=C2CCNC(=O)C3=CC=CC=C3)C=C1 |
Product Overview
F2007-0102 (CAS 872994-44-0), with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol. IUPAC: methyl 2-[[3-(2-benzamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetate.
Chemical Property Profile of F2007-0102
Property Insights of F2007-0102
The XLogP value of 1.3619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2007-0102. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for F2007-0102. Following Lipinski's Rule of Five, F2007-0102 has 1 hydrogen bond donor(s) and 7 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 F2007-0102?
The CAS number of F2007-0102 is 872994-44-0.
What is the molecular formula of F2007-0102?
The molecular formula of F2007-0102 is C17H17N5O3S.
What is the molecular weight of F2007-0102?
The molecular weight of F2007-0102 is 371.11 g/mol.
Where can I buy F2007-0102?
You can request a quote for F2007-0102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2007-0102?
Yes, KEHONG BIO provides custom synthesis services for F2007-0102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.