alpha-Difluoromethylputrescine
TL;DR: alpha-Difluoromethylputrescine (CAS 86120-58-3) is a chemical compound with molecular formula C(CC(C(F)F)N)CN and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-difluoropentane-1,4-diamine
Also Known As: ADFMP, alpha-Difluoromethylputrescine, 5,5-difluoropentane-1,4-diamine, a-difluoromethylputrescine, 5,5-Difluoro-1,4-pentanediamine
| Molecular Formula | C(CC(C(F)F)N)CN |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 138.09685 |
| Heavy Atoms | 9 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 86120-58-3 |
|---|---|
| SMILES | C(CC(C(F)F)N)CN |
| InChIKey | PUAMHXQPUKPWSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Difluoromethylputrescine (CAS 86120-58-3), with molecular formula C(CC(C(F)F)N)CN and molecular weight 138.10 g/mol. IUPAC: 5,5-difluoropentane-1,4-diamine.
Chemical Property Profile of alpha-Difluoromethylputrescine
Property Insights of alpha-Difluoromethylputrescine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Difluoromethylputrescine. With a topological polar surface area (TPSA) of 52.0 Ų, alpha-Difluoromethylputrescine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Difluoromethylputrescine has 2 hydrogen bond donor(s) and 4 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 alpha-Difluoromethylputrescine?
The CAS number of alpha-Difluoromethylputrescine is 86120-58-3.
What is the molecular formula of alpha-Difluoromethylputrescine?
The molecular formula of alpha-Difluoromethylputrescine is C(CC(C(F)F)N)CN.
What is the molecular weight of alpha-Difluoromethylputrescine?
The molecular weight of alpha-Difluoromethylputrescine is 138.10 g/mol.
Where can I buy alpha-Difluoromethylputrescine?
You can request a quote for alpha-Difluoromethylputrescine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Difluoromethylputrescine?
Yes, KEHONG BIO provides custom synthesis services for alpha-Difluoromethylputrescine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.