4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol
TL;DR: 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol (CAS 88195-60-2) is a chemical compound with molecular formula C19H16O3 and molecular weight 292.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10S,11S)-4-(hydroxymethyl)-10,11-dihydrobenzo[a]anthracene-10,11-diol
Also Known As: 4-Ohmba-10,11, 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol, Benz(a)anthracene-10,11-diol, 10,11-dihydro-4-(hydroxymethyl)-, trans-, (10S,11S)-4-(hydroxymethyl)-10,11-dihydrobenzo[a]anthracene-10,11-diol, 4-(Hydroxymethyl)-10,11-dihydrotetraphene-10,11-diol
| Molecular Formula | C19H16O3 |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.10995 |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 88195-60-2 |
|---|---|
| SMILES | C1=CC(=C2C=CC3=CC4=C(C=C3C2=C1)[C@@H]([C@H](C=C4)O)O)CO |
| InChIKey | PJTMSYPBIAPKRA-OALUTQOASA-N |
Product Overview
4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol (CAS 88195-60-2), with molecular formula C19H16O3 and molecular weight 292.11 g/mol. IUPAC: (10S,11S)-4-(hydroxymethyl)-10,11-dihydrobenzo[a]anthracene-10,11-diol.
Chemical Property Profile of 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol
Property Insights of 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol. Following Lipinski's Rule of Five, 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol 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 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol?
The CAS number of 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol is 88195-60-2.
What is the molecular formula of 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol?
The molecular formula of 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol is C19H16O3.
What is the molecular weight of 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol?
The molecular weight of 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol is 292.11 g/mol.
Where can I buy 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol?
You can request a quote for 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxymethylbenz(a)anthracene-10,11-dihydrodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.