1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol
TL;DR: 1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol (CAS 76094-80-9) 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.
6-oxapentacyclo[9.8.0.02,8.05,7.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-3,4-diol
Also Known As: hydroxybenzylisoproterenol, BA 1,2-Diol-3,4-epoxide l, 1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol, 1a,10,11,11a-Tetrahydrotetrapheno[3,4-b]oxirene-10,11-diol, Benzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol, 1a,10,11,11a-tetrahydro-
| Molecular Formula | C18H14O3 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 2.0 |
| 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 | 425.0 |
Chemical Identifiers
| CAS Number | 76094-80-9 |
|---|---|
| SMILES | C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C(C(C5C4O5)O)O |
| InChIKey | DSFRWEJPOFEAGF-UHFFFAOYSA-N |
Product Overview
1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol (CAS 76094-80-9), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: 6-oxapentacyclo[9.8.0.02,8.05,7.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-3,4-diol.
Chemical Property Profile of 1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol
Property Insights of 1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol. With a topological polar surface area (TPSA) of 53.0 Ų, 1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-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,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol?
The CAS number of 1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol is 76094-80-9.
What is the molecular formula of 1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol?
The molecular formula of 1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol is C18H14O3.
What is the molecular weight of 1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol?
The molecular weight of 1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol is 278.09 g/mol.
Where can I buy 1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol?
You can request a quote for 1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol?
Yes, KEHONG BIO provides custom synthesis services for 1a,10,11,11a-Tetrahydrobenzo(6,7)phenanthro(1,2-b)oxirene-10,11-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.