PPPBE
TL;DR: PPPBE (CAS 152191-69-0) is a chemical compound with molecular formula C27H33BrN2O4 and molecular weight 528.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-bromo-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]spiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-carboxamide
Also Known As: PPPBE, N-(3'-(3'-Piperidinomethylphenoxy)propyl)-1-bromo-9,9-ethylenedioxypentacyclo(4.3.0.0(2,5).0(3,8).0(4,7)nonane)-4-carboxamide, 1'-Bromo-N-(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)spiro[[1,3]dioxolane-2,9'-pentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonane]-4'-carboximidic acid, 1'-Bromo-N-(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)spiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonane]-4'-carboximidic acid, 1'-bromo-N-(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)spiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-carboxamide
| Molecular Formula | C27H33BrN2O4 |
|---|---|
| Molecular Weight | 528.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.16235 |
| Heavy Atoms | 34 |
| Complexity | 851.0 |
Chemical Identifiers
| CAS Number | 152191-69-0 |
|---|---|
| SMILES | C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)C34C5C6C3C7C4C5C6(C78OCCO8)Br |
| InChIKey | UFXPVXIUMFFFED-UHFFFAOYSA-N |
Product Overview
PPPBE (CAS 152191-69-0), with molecular formula C27H33BrN2O4 and molecular weight 528.16 g/mol. IUPAC: 1'-bromo-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]spiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-carboxamide.
Chemical Property Profile of PPPBE
Property Insights of PPPBE
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PPPBE. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PPPBE. Following Lipinski's Rule of Five, PPPBE has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PPPBE?
The CAS number of PPPBE is 152191-69-0.
What is the molecular formula of PPPBE?
The molecular formula of PPPBE is C27H33BrN2O4.
What is the molecular weight of PPPBE?
The molecular weight of PPPBE is 528.16 g/mol.
Where can I buy PPPBE?
You can request a quote for PPPBE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PPPBE?
Yes, KEHONG BIO provides custom synthesis services for PPPBE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.