3-Methyl TTNPB
TL;DR: 3-Methyl TTNPB (CAS 87316-44-7) is a chemical compound with molecular formula C25H30O2 and molecular weight 362.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
Also Known As: 3-Methyl TTNPB, 3-Methyl-TTNPB, Ro 18-6622, Ro-18-6622, 4-(2-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-propenyl) benzoic acid
| Molecular Formula | C25H30O2 |
|---|---|
| Molecular Weight | 362.22 g/mol |
| LogP | 6.60272 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.22458 |
| Heavy Atoms | 27 |
| Complexity | 912.0852 |
Chemical Identifiers
| CAS Number | 87316-44-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1/C(=C/C3=CC=C(C=C3)C(=O)O)/C)C(CCC2(C)C)(C)C |
Product Overview
3-Methyl TTNPB (CAS 87316-44-7), with molecular formula C25H30O2 and molecular weight 362.22 g/mol. IUPAC: 4-[(E)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid.
Chemical Property Profile of 3-Methyl TTNPB
Property Insights of 3-Methyl TTNPB
The XLogP value of 6.60272 indicates that 3-Methyl TTNPB is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Methyl TTNPB exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl TTNPB has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Methyl TTNPB?
The CAS number of 3-Methyl TTNPB is 87316-44-7.
What is the molecular formula of 3-Methyl TTNPB?
The molecular formula of 3-Methyl TTNPB is C25H30O2.
What is the molecular weight of 3-Methyl TTNPB?
The molecular weight of 3-Methyl TTNPB is 362.22 g/mol.
Where can I buy 3-Methyl TTNPB?
You can request a quote for 3-Methyl TTNPB directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl TTNPB?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl TTNPB and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.