RefChem:1074145
TL;DR: RefChem:1074145 (CAS 101976-62-9) is a chemical compound with molecular formula C14H22F6NO3P and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,2λ5-dioxaphosphinane 2-oxide
Also Known As: Phosphonic acid, piperidino-, cyclic 1-tert-butyl-3,3-bis(trifluoromethyl)trimethylene ester, 2-(N-Piperidinyl)-6-tert-butyl-4-bis(trifluoromethyl)-1,3,2-dioxaphosphorin-2-oxide, 6-tert-butyl-2-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,2, 6-tert-Butyl-2-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-1,3,2lambda~5~-dioxaphosphinan-2-one, Piperidine, 1-[6-(1,1-dimethylethyl)-2-oxido-4,4-bis(trifluoromethyl)-1,3,2-dioxaphosphorinan-2-yl]-
| Molecular Formula | C14H22F6NO3P |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.12415 |
| Heavy Atoms | 25 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 101976-62-9 |
|---|---|
| SMILES | CC(C)(C)C1CC(OP(=O)(O1)N2CCCCC2)(C(F)(F)F)C(F)(F)F |
| InChIKey | WVCXYZKAXPUFKQ-UHFFFAOYSA-N |
Product Overview
RefChem:1074145 (CAS 101976-62-9), with molecular formula C14H22F6NO3P and molecular weight 397.12 g/mol. IUPAC: 6-tert-butyl-2-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,2λ5-dioxaphosphinane 2-oxide.
Chemical Property Profile of RefChem:1074145
Property Insights of RefChem:1074145
The XLogP value of 4.6 indicates that RefChem:1074145 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, RefChem:1074145 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1074145 has 0 hydrogen bond donor(s) and 10 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 RefChem:1074145?
The CAS number of RefChem:1074145 is 101976-62-9.
What is the molecular formula of RefChem:1074145?
The molecular formula of RefChem:1074145 is C14H22F6NO3P.
What is the molecular weight of RefChem:1074145?
The molecular weight of RefChem:1074145 is 397.12 g/mol.
Where can I buy RefChem:1074145?
You can request a quote for RefChem:1074145 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074145?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074145 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.