![1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol structure](/static/products/8205/82050-45-1.webp)
1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol
TL;DR: 1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol (CAS 82050-45-1) is a chemical compound with molecular formula C18H14O3 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxapentacyclo[9.8.0.03,9.04,6.012,17]nonadeca-1,3(9),7,10,12(17),13,18-heptaene-15,16-diol
Also Known As: 1a,7,8,11b-tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol, Benz(a)anthra(8,9-b)oxirene-5,6-diol, 1a,5,6,11a-tetrahydro-
| Molecular Formula | C18H14O3 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.0943 |
| Heavy Atoms | 21 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 82050-45-1 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=CC4=C(C=CC5C4O5)C=C32)C(C1O)O |
| InChIKey | ZXUZRBTXSKOEAI-UHFFFAOYSA-N |
Product Overview
1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol (CAS 82050-45-1), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: 5-oxapentacyclo[9.8.0.03,9.04,6.012,17]nonadeca-1,3(9),7,10,12(17),13,18-heptaene-15,16-diol.
Chemical Property Profile of 1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol
Property Insights of 1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol. With a topological polar surface area (TPSA) of 53.0 Ų, 1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-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,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol?
The CAS number of 1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol is 82050-45-1.
What is the molecular formula of 1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol?
The molecular formula of 1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol is C18H14O3.
What is the molecular weight of 1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol?
The molecular weight of 1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol is 278.09 g/mol.
Where can I buy 1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol?
You can request a quote for 1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol?
Yes, KEHONG BIO provides custom synthesis services for 1a,7,8,11b-Tetrahydrotetrapheno[8,9-b]oxirene-7,8-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.