3-methylbutylN- carbamate
TL;DR: 3-methylbutylN- carbamate (CAS 145430-08-6) is a chemical compound with molecular formula C21H22F6NO3P and molecular weight 481.12415 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylbutyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
Also Known As: 3-methylbutylN- carbamate, Carbamic acid, (1-(diphenylphosphinyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, 3-methylbutyl ester, 3-methylbutyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate, 3-METHYLBUTYL N-(2-DIPHENYLPHOSPHORYL-1,1,1,3,3,3-HEXAFLUORO-PROPAN-2- YL)CARBAMATE, Isopentyl (2-(diphenylphosphoryl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
Technical Specifications
| Molecular Formula | C21H22F6NO3P |
| Molecular Weight | 481.12415 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.12415 Da |
| Heavy Atoms | 32 |
| Complexity | 631.0 |
| SMILES | CC(C)CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | RXYZJSFQYLLONF-UHFFFAOYSA-N |
Chemical Property Profile of 3-methylbutylN- carbamate
Property Insights of 3-methylbutylN- carbamate
The XLogP value of 6.1 indicates that 3-methylbutylN- carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 3-methylbutylN- carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methylbutylN- carbamate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-methylbutylN- carbamate?
The CAS number of 3-methylbutylN- carbamate is 145430-08-6.
What is the molecular formula of 3-methylbutylN- carbamate?
The molecular formula of 3-methylbutylN- carbamate is C21H22F6NO3P.
What is the molecular weight of 3-methylbutylN- carbamate?
The molecular weight of 3-methylbutylN- carbamate is 481.12415 g/mol.
Where can I buy 3-methylbutylN- carbamate?
You can request a quote for 3-methylbutylN- carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-methylbutylN- carbamate?
Yes, CoreyChem provides custom synthesis services for 3-methylbutylN- carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.