![4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol structure](/static/products/4028/40283-42-9.webp)
4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol
TL;DR: 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol (CAS 40283-42-9) is a chemical compound with molecular formula C18H26O and molecular weight 258.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
Also Known As: Bactacine, 4,5-dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol, 4,5-DIMETHYL-2-[(1R,2R,4S)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL]PHENOL, 4,5-dimethyl-2-[(1S,3R,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]phenol, endo-2-(1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl)-4,5-xylenol
| Molecular Formula | C18H26O |
|---|---|
| Molecular Weight | 258.20 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.19836 |
| Heavy Atoms | 19 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 40283-42-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)O)[C@@H]2C[C@@H]3CC[C@]2(C3(C)C)C |
| InChIKey | RNRHMQWZFJXKLZ-DHSIGJKJSA-N |
Product Overview
4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol (CAS 40283-42-9), with molecular formula C18H26O and molecular weight 258.20 g/mol. IUPAC: 4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol.
Chemical Property Profile of 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol
Property Insights of 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol
The XLogP value of 5.6 indicates that 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol 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 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol?
The CAS number of 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol is 40283-42-9.
What is the molecular formula of 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol?
The molecular formula of 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol is C18H26O.
What is the molecular weight of 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol?
The molecular weight of 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol is 258.20 g/mol.
Where can I buy 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol?
You can request a quote for 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.