7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene
TL;DR: 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene (CAS 89524-81-2) is a chemical compound with molecular formula C21H16O3 and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol
Also Known As: 7,8-Demtbp, 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene, trans-7,8-Dihydroxy-anti-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene, 7,8-dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo pyrene, Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-8-methyl-, (7alpha,8beta,8aalpha,9aalpha)-
| Molecular Formula | C21H16O3 |
|---|---|
| Molecular Weight | 316.11 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 | 316.10995 |
| Heavy Atoms | 24 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 89524-81-2 |
|---|---|
| SMILES | CC1(C2C(O2)C3=C(C1O)C=C4C=CC5=C6C4=C3C=CC6=CC=C5)O |
| InChIKey | BVPQNAFPYBTVSY-UHFFFAOYSA-N |
Product Overview
7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene (CAS 89524-81-2), with molecular formula C21H16O3 and molecular weight 316.11 g/mol. IUPAC: 6-methyl-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol.
Chemical Property Profile of 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene
Property Insights of 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene
The XLogP value of 3.0 indicates that 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene 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 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene?
The CAS number of 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene is 89524-81-2.
What is the molecular formula of 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene?
The molecular formula of 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene is C21H16O3.
What is the molecular weight of 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene?
The molecular weight of 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene is 316.11 g/mol.
Where can I buy 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene?
You can request a quote for 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.