anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide
TL;DR: anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide (CAS 110044-41-2) 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.
(3S,5S)-18-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
Also Known As: anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide, Choline, bromide, 10-phenothiazinecarboxylate, syn-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide, 11-methyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-diol, (8aS,9aS)-11-methyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-diol
| Molecular Formula | C19H16O3 |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.10995 |
| Heavy Atoms | 22 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 110044-41-2 |
|---|---|
| SMILES | CC1=CC2=C(C=CC3=C2[C@H]4[C@@H](O4)C(C3O)O)C5=CC=CC=C15 |
| InChIKey | PYPGXSRNRQKRQD-BTRQGYIVSA-N |
Product Overview
anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide (CAS 110044-41-2), with molecular formula C19H16O3 and molecular weight 292.11 g/mol. IUPAC: (3S,5S)-18-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol.
Chemical Property Profile of anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide
Property Insights of anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide. With a topological polar surface area (TPSA) of 53.0 Ų, anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide has 2 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 anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide?
The CAS number of anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide is 110044-41-2.
What is the molecular formula of anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide?
The molecular formula of anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide is C19H16O3.
What is the molecular weight of anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide?
The molecular weight of anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide is 292.11 g/mol.
Where can I buy anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide?
You can request a quote for anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide?
Yes, KEHONG BIO provides custom synthesis services for anti-trans-1,2,3,4-Tetrahydro-6-methylchrysene-1,2-diol-3,4-epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.