7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol
TL;DR: 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol (CAS 83481-29-2) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S,4R,8S,9R,11S,12S)-6,6,9-trimethyl-2,13-dioxapentacyclo[9.3.0.01,3.04,8.09,11]tetradecan-12-ol
Also Known As: 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol, 2H,4H-Cycloprop(4,5)oxireno(6,7)indeno(5,6-c)furan-4-ol,octahydro-5a,7,7-trimethyl-, (1aS,4S,4aS,5aR,5bS,8aR,8bS)-, (1aS,4S,4aS,5aR,5bS,8aR,8bS)-5a,7,7-Trimethyloctahydro-2H,4H-cyclopropa[4,5]oxireno[6,7]indeno[5,6-c]furan-4-ol, (1S)-4abeta,5,6,7,7abeta,8-Hexahydro-6,6,8-trimethyl-3H,4H-3abeta,4beta-epoxy-8beta,8abeta-methano-1H-indeno[5,6-c]furan-1beta-ol, (1S,3S,4R,8S,9R,11S,12S)-6,6,9-trimethyl-2,13-dioxapentacyclo[9.3.0.01,3.04,8.09,11]tetradecan-12-ol
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 83481-29-2 |
|---|---|
| SMILES | C[C@]12C[C@]13[C@H](OC[C@]34[C@@H](O4)[C@H]5[C@@H]2CC(C5)(C)C)O |
| InChIKey | GYCYIRSSVBOBAX-UAMZPEQJSA-N |
Product Overview
7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol (CAS 83481-29-2), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: (1S,3S,4R,8S,9R,11S,12S)-6,6,9-trimethyl-2,13-dioxapentacyclo[9.3.0.01,3.04,8.09,11]tetradecan-12-ol.
Chemical Property Profile of 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol
Property Insights of 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol. With a topological polar surface area (TPSA) of 42.0 Ų, 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol has 1 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-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol?
The CAS number of 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol is 83481-29-2.
What is the molecular formula of 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol?
The molecular formula of 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol is C15H22O3.
What is the molecular weight of 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol?
The molecular weight of 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol is 250.16 g/mol.
Where can I buy 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol?
You can request a quote for 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxymethylbenz(a)anthracene-3,4-dihydrodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.