Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy-
TL;DR: Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy- (CAS 72485-26-8) is a chemical compound with molecular formula C20H12O3 and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),3(5),9,11,13(21),14,16,18-nonaene-6,7-diol
Also Known As: starbld0036906, Sid 189775, Benzo(a)pyrene-7,8-dihydrodiol-9,10-epoxide, Benzo(a)pyrene 7,8-dihydrodiol-9,10-epoxide, 7,8-Dihydroxy-9,10-epoxy-7,8-dihydrobenzo(a)pyrene
| Molecular Formula | C20H12O3 |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 300.07864 |
| Heavy Atoms | 23 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 72485-26-8 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C6=C(O6)C(C5O)O)C=C2 |
| InChIKey | CTXVUJJABIHCFU-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy- (CAS 72485-26-8), with molecular formula C20H12O3 and molecular weight 300.08 g/mol. IUPAC: 4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),3(5),9,11,13(21),14,16,18-nonaene-6,7-diol.
Chemical Property Profile of Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy-
Property Insights of Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy-. With a topological polar surface area (TPSA) of 53.0 Ų, Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy- 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 Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy-?
The CAS number of Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy- is 72485-26-8.
What is the molecular formula of Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy-?
The molecular formula of Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy- is C20H12O3.
What is the molecular weight of Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy-?
The molecular weight of Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy- is 300.08 g/mol.
Where can I buy Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy-?
You can request a quote for Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.