3-Methylcholanthrene-trans-7,8-dihydrodiol
TL;DR: 3-Methylcholanthrene-trans-7,8-dihydrodiol (CAS 68688-86-8) is a chemical compound with molecular formula C21H18O2 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,8S)-3-methyl-1,2,7,8-tetrahydrobenzo[j]aceanthrylene-7,8-diol
Also Known As: 3-Methylcholanthrene-trans-7,8-dihydrodiol, trans-7,8-Dihydro-7,8-dihydroxy-3-methylcholanthrene, trans-3-Methyl-7,8-dihydrocholanthrene-7,8-diol, trans-1,2-Dihydro-3-methylcholanthrene-7,8-dihydrodiol, Cholanthrene-7,8-diol, 7,8-dihydro-3-methyl-, (E)-
| Molecular Formula | C21H18O2 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.13068 |
| Heavy Atoms | 23 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 68688-86-8 |
|---|---|
| SMILES | CC1=C2CCC3=C2C(=CC4=C3C=CC5=C4[C@@H]([C@H](C=C5)O)O)C=C1 |
| InChIKey | PLOSOTOGRJEVNA-GHTZIAJQSA-N |
Product Overview
3-Methylcholanthrene-trans-7,8-dihydrodiol (CAS 68688-86-8), with molecular formula C21H18O2 and molecular weight 302.13 g/mol. IUPAC: (7S,8S)-3-methyl-1,2,7,8-tetrahydrobenzo[j]aceanthrylene-7,8-diol.
Chemical Property Profile of 3-Methylcholanthrene-trans-7,8-dihydrodiol
Property Insights of 3-Methylcholanthrene-trans-7,8-dihydrodiol
The XLogP value of 3.9 indicates that 3-Methylcholanthrene-trans-7,8-dihydrodiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Methylcholanthrene-trans-7,8-dihydrodiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylcholanthrene-trans-7,8-dihydrodiol has 2 hydrogen bond donor(s) and 2 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 3-Methylcholanthrene-trans-7,8-dihydrodiol?
The CAS number of 3-Methylcholanthrene-trans-7,8-dihydrodiol is 68688-86-8.
What is the molecular formula of 3-Methylcholanthrene-trans-7,8-dihydrodiol?
The molecular formula of 3-Methylcholanthrene-trans-7,8-dihydrodiol is C21H18O2.
What is the molecular weight of 3-Methylcholanthrene-trans-7,8-dihydrodiol?
The molecular weight of 3-Methylcholanthrene-trans-7,8-dihydrodiol is 302.13 g/mol.
Where can I buy 3-Methylcholanthrene-trans-7,8-dihydrodiol?
You can request a quote for 3-Methylcholanthrene-trans-7,8-dihydrodiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylcholanthrene-trans-7,8-dihydrodiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylcholanthrene-trans-7,8-dihydrodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.