1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol
TL;DR: 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol (CAS 74351-41-0) 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.
2,10-dimethyl-5-oxapentacyclo[9.8.0.03,9.04,6.012,17]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
Also Known As: 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol, Benz(5,6)anthra(1,2-b)oxirene-2,3-diol, 1a,2,3,11b-tetrahydro-4,11-dimethyl-, 4,11-dimethyl-1a,2,3,11b-tetrahydrotetrapheno[8,9-b]oxirene-2,3-diol
| Molecular Formula | C20H18O3 |
|---|---|
| Molecular Weight | 306.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.12558 |
| Heavy Atoms | 23 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 74351-41-0 |
|---|---|
| SMILES | CC1=C2C=CC3=CC=CC=C3C2=C(C4=C1C5C(O5)C(C4O)O)C |
| InChIKey | QUOXBIJJZBAQGO-UHFFFAOYSA-N |
Product Overview
1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol (CAS 74351-41-0), with molecular formula C20H18O3 and molecular weight 306.13 g/mol. IUPAC: 2,10-dimethyl-5-oxapentacyclo[9.8.0.03,9.04,6.012,17]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol.
Chemical Property Profile of 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol
Property Insights of 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol
The XLogP value of 3.0 indicates that 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol 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 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol?
The CAS number of 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol is 74351-41-0.
What is the molecular formula of 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol?
The molecular formula of 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol is C20H18O3.
What is the molecular weight of 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol?
The molecular weight of 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol is 306.13 g/mol.
Where can I buy 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol?
You can request a quote for 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.