Difluoropine
TL;DR: Difluoropine (CAS 1932-93-0) is a chemical compound with molecular formula C23H25F2NO3 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,2S,3S,5R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: Difluoropine, 2-Carbomethoxy-3-(bis(4-fluorophenyl)methoxy)tropane, methyl (1S,2S,3S,5R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate, 8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-[bis(4-fluorophenyl)methoxy]-8-methyl-, methyl ester, (1S,2S,3S,5R)-, (1S,2S,3S,5R)-3-[(4,4 -Difluorobenzhydryl)oxy]tropane-2-carboxylic acid methyl ester
| Molecular Formula | C23H25F2NO3 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.18024 |
| Heavy Atoms | 29 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 1932-93-0 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1[C@@H]([C@H](C2)OC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C(=O)OC |
| InChIKey | XSYGBVSQKPLETJ-ANULTFPQSA-N |
Product Overview
Difluoropine (CAS 1932-93-0), with molecular formula C23H25F2NO3 and molecular weight 401.18 g/mol. IUPAC: methyl (1S,2S,3S,5R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of Difluoropine
Property Insights of Difluoropine
The XLogP value of 4.2 indicates that Difluoropine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Difluoropine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Difluoropine has 0 hydrogen bond donor(s) and 6 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 Difluoropine?
The CAS number of Difluoropine is 1932-93-0.
What is the molecular formula of Difluoropine?
The molecular formula of Difluoropine is C23H25F2NO3.
What is the molecular weight of Difluoropine?
The molecular weight of Difluoropine is 401.18 g/mol.
Where can I buy Difluoropine?
You can request a quote for Difluoropine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difluoropine?
Yes, KEHONG BIO provides custom synthesis services for Difluoropine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.