PTBD
TL;DR: PTBD (CAS 139481-27-9) is a chemical compound with molecular formula C10F18O4 and molecular weight 525.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,5-trifluoro-5-[4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane
Also Known As: PTBD, Perfluoro-2,2,2',2'-tetramethyl-4,4'-bis(1,3-dioxolane), 4,4',5,5,5',5'-hexafluoro-2,2,2',2'-tetrakis(trifluoromethyl)-4,4'-bi-1,3-dioxolane, 4,4,5-trifluoro-5-[4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane, RefChem:911800
| Molecular Formula | C10F18O4 |
|---|---|
| Molecular Weight | 525.95 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 1 |
| Exact Mass | 525.9509 |
| Heavy Atoms | 32 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 139481-27-9 |
|---|---|
| SMILES | C1(C(OC(O1)(C(F)(F)F)C(F)(F)F)(F)F)(C2(C(OC(O2)(C(F)(F)F)C(F)(F)F)(F)F)F)F |
| InChIKey | PLIXOQYCVZTQMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
PTBD (CAS 139481-27-9), with molecular formula C10F18O4 and molecular weight 525.95 g/mol. IUPAC: 4,4,5-trifluoro-5-[4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane.
Chemical Property Profile of PTBD
Property Insights of PTBD
The XLogP value of 5.8 indicates that PTBD is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.9 Ų, PTBD exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PTBD has 0 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PTBD?
The CAS number of PTBD is 139481-27-9.
What is the molecular formula of PTBD?
The molecular formula of PTBD is C10F18O4.
What is the molecular weight of PTBD?
The molecular weight of PTBD is 525.95 g/mol.
Where can I buy PTBD?
You can request a quote for PTBD directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PTBD?
Yes, KEHONG BIO provides custom synthesis services for PTBD and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.