3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile
TL;DR: 3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile (CAS 68239-02-1) is a chemical compound with molecular formula C4H3ClF2N2O and molecular weight 167.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile
Also Known As: (C4-H3-Cl-F2-N2-O)x-, Cyano(difluoroamino)epichlorohydrin homopolymer, 3-(chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile, Oxiranecarbonitrile, (chloromethyl)(difluoroamino)-, homopolymer, 2-Oxiranecarbonitrile, (chloromethyl)(difluoroamino)-, homopolymer
| Molecular Formula | C4H3ClF2N2O |
|---|---|
| Molecular Weight | 167.99 g/mol |
| LogP | 0.91488 |
| Topological Polar Surface Area | 39.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.9902 |
| Heavy Atoms | 10 |
| Complexity | 182.58662 |
Chemical Identifiers
| CAS Number | 68239-02-1 |
|---|---|
| SMILES | C(C1C(O1)(C#N)N(F)F)Cl |
Product Overview
3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile (CAS 68239-02-1), with molecular formula C4H3ClF2N2O and molecular weight 167.99 g/mol. IUPAC: 3-(chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile.
Chemical Property Profile of 3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile
Property Insights of 3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile
The XLogP value of 0.91488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile. With a topological polar surface area (TPSA) of 39.56 Ų, 3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile has 0 hydrogen bond donor(s) and 3 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 3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile?
The CAS number of 3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile is 68239-02-1.
What is the molecular formula of 3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile?
The molecular formula of 3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile is C4H3ClF2N2O.
What is the molecular weight of 3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile?
The molecular weight of 3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile is 167.99 g/mol.
Where can I buy 3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile?
You can request a quote for 3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)-2-(difluoroamino)oxirane-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.