7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol
TL;DR: 7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol (CAS 40495-42-9) is a chemical compound with molecular formula C20H18O3 and molecular weight 306.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(hydroxymethyl)-12-methyl-5,6-dihydrobenzo[a]anthracene-5,6-diol
Also Known As: 7-(HYDROXYMETHYL)-12-METHYL-5,6-DIHYDROTETRAPHENE-5,6-DIOL, 7-(hydroxymethyl)-12-methyl-5,6-dihydrobenzo[a]anthracene-5,6-diol, trans-7-Hydroxymethyl-12-methylbenz(a)anthracene-5,6-dihydrodiol, trans-5,6-Dihydro-7-(hydroxymethyl)-12-methylbenz(a)anthracene-5,6-diol, BENZ(a)ANTHRACENE-5,6-DIOL, 5,6-DIHYDRO-7-(HYDROXYMETHYL)-12-METHYL-, trans-
| Molecular Formula | C20H18O3 |
|---|---|
| Molecular Weight | 306.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.12558 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 40495-42-9 |
|---|---|
| SMILES | CC1=C2C3=CC=CC=C3C(C(C2=C(C4=CC=CC=C14)CO)O)O |
| InChIKey | GOVKPSXTEUZTIT-UHFFFAOYSA-N |
Product Overview
7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol (CAS 40495-42-9), with molecular formula C20H18O3 and molecular weight 306.13 g/mol. IUPAC: 7-(hydroxymethyl)-12-methyl-5,6-dihydrobenzo[a]anthracene-5,6-diol.
Chemical Property Profile of 7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol
Property Insights of 7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol. Following Lipinski's Rule of Five, 7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol has 3 hydrogen bond donor(s) and 3 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 7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol?
The CAS number of 7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol is 40495-42-9.
What is the molecular formula of 7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol?
The molecular formula of 7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol is C20H18O3.
What is the molecular weight of 7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol?
The molecular weight of 7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol is 306.13 g/mol.
Where can I buy 7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol?
You can request a quote for 7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 7-(Hydroxymethyl)-12-methyl-5,6-dihydrotetraphene-5,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.