3,3'-hydrazono-di-propionitrile
TL;DR: 3,3'-hydrazono-di-propionitrile (CAS 313247-41-5) is a chemical compound with molecular formula C18H16ClF3N4OS and molecular weight 428.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Also Known As: 3,3'-hydrazono-di-propionitrile, BAS 00481812, AB00093169-01, AZEPAN-1-YL-[7-CHLORO-4-THIOPHEN-2-YL-2-(TRIFLUOROMETHYL)-1,5,9-TRIAZABICYCLO[4.3.0]NONA-2,4,6,8-TETRAEN-8-YL]METHANONE, (Azepan-1-yl)[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
| Molecular Formula | C18H16ClF3N4OS |
|---|---|
| Molecular Weight | 428.07 g/mol |
| LogP | 5.1462 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 428.06854 |
| Heavy Atoms | 28 |
| Complexity | 1008.1747 |
Chemical Identifiers
| CAS Number | 313247-41-5 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=CS4)C(F)(F)F |
Product Overview
3,3'-hydrazono-di-propionitrile (CAS 313247-41-5), with molecular formula C18H16ClF3N4OS and molecular weight 428.07 g/mol. IUPAC: azepan-1-yl-[3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
Chemical Property Profile of 3,3'-hydrazono-di-propionitrile
Property Insights of 3,3'-hydrazono-di-propionitrile
The XLogP value of 5.1462 indicates that 3,3'-hydrazono-di-propionitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, 3,3'-hydrazono-di-propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-hydrazono-di-propionitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-hydrazono-di-propionitrile?
The CAS number of 3,3'-hydrazono-di-propionitrile is 313247-41-5.
What is the molecular formula of 3,3'-hydrazono-di-propionitrile?
The molecular formula of 3,3'-hydrazono-di-propionitrile is C18H16ClF3N4OS.
What is the molecular weight of 3,3'-hydrazono-di-propionitrile?
The molecular weight of 3,3'-hydrazono-di-propionitrile is 428.07 g/mol.
Where can I buy 3,3'-hydrazono-di-propionitrile?
You can request a quote for 3,3'-hydrazono-di-propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-hydrazono-di-propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-hydrazono-di-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.