trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene
TL;DR: trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene (CAS 130933-91-4) is a chemical compound with molecular formula C20H14O3 and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,7R,8R,10S)-9-oxahexacyclo[12.6.1.02,12.05,11.08,10.018,21]henicosa-1(21),2(12),3,5(11),13,15,17,19-octaene-6,7-diol
Also Known As: trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene, anti-9,10-Dihydrobenz(j)aceanthrylene-9,10-diol 7,8-epoxide, (+-)-anti-trans-9,10-Dihydro-9,10-dihydroxybenz(j)aceanthrylene-7,8-oxide, Indeno(7',1':6,7,8)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,11c-tetrahydro-, (1a-alpha,2-beta,3-alpha,11c-alpha)-, 1a,2,3,11c-Tetrahydrocyclopenta[7,8]tetrapheno[1,2-b]oxirene-2,3-diol
| Molecular Formula | C20H14O3 |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.0943 |
| Heavy Atoms | 23 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 130933-91-4 |
|---|---|
| SMILES | C1=CC2=CC3=C(C=CC4=C3[C@H]5[C@H](O5)[C@@H]([C@H]4O)O)C6=C2C(=C1)C=C6 |
| InChIKey | OZOQTNHPJBUEGC-ZGXWSNOMSA-N |
Product Overview
trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene (CAS 130933-91-4), with molecular formula C20H14O3 and molecular weight 302.09 g/mol. IUPAC: (6S,7R,8R,10S)-9-oxahexacyclo[12.6.1.02,12.05,11.08,10.018,21]henicosa-1(21),2(12),3,5(11),13,15,17,19-octaene-6,7-diol.
Chemical Property Profile of trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene
Property Insights of trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene. With a topological polar surface area (TPSA) of 53.0 Ų, trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene 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 trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene?
The CAS number of trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene is 130933-91-4.
What is the molecular formula of trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene?
The molecular formula of trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene is C20H14O3.
What is the molecular weight of trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene?
The molecular weight of trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene is 302.09 g/mol.
Where can I buy trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene?
You can request a quote for trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene?
Yes, KEHONG BIO provides custom synthesis services for trans-9,10-Dihydroxy-anti-7,8-epoxy-7,8,9,10-tetrahydrobenz(j)aceanthrylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.