4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol
TL;DR: 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol (CAS 103185-28-0) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2S,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
Also Known As: Masoprocol, nordihydroguaiaretate, 3zqt, Nordihydroguaiaretic acid, DL-, Nordihydroguaiaretic acid, (+/-)-
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 103185-28-0 |
|---|---|
| SMILES | C[C@@H](CC1=CC(=C(C=C1)O)O)[C@@H](C)CC2=CC(=C(C=C2)O)O |
| InChIKey | HCZKYJDFEPMADG-RYUDHWBXSA-N |
Product Overview
4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol (CAS 103185-28-0), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: 4-[(2S,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol.
Chemical Property Profile of 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol
Property Insights of 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol
The XLogP value of 4.3 indicates that 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol. Following Lipinski's Rule of Five, 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol has 4 hydrogen bond donor(s) and 4 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 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol?
The CAS number of 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol is 103185-28-0.
What is the molecular formula of 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol?
The molecular formula of 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol is C18H22O4.
What is the molecular weight of 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol?
The molecular weight of 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol is 302.15 g/mol.
Where can I buy 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol?
You can request a quote for 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.