7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol
TL;DR: 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol (CAS 94849-94-2) is a chemical compound with molecular formula C21H16O and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-8H-benzo[a]pyren-7-ol
Also Known As: 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol, 7-methyl-8H-benzo[a]pyren-7-ol, Benzo(a)pyren-7-ol, 7,8-dihydro-7-methyl, Benzo(a)pyren-7-ol, 7,8-dihydro-7-methyl-, 7-methyl-7,8-dihydrobenzo[pqr]tetraphen-7-ol
| Molecular Formula | C21H16O |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.12012 |
| Heavy Atoms | 22 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 94849-94-2 |
|---|---|
| SMILES | CC1(CC=CC2=C1C=C3C=CC4=C5C3=C2C=CC5=CC=C4)O |
| InChIKey | VTBIEDCKYLXDID-UHFFFAOYSA-N |
Product Overview
7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol (CAS 94849-94-2), with molecular formula C21H16O and molecular weight 284.12 g/mol. IUPAC: 7-methyl-8H-benzo[a]pyren-7-ol.
Chemical Property Profile of 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol
Property Insights of 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol
The XLogP value of 5.2 indicates that 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol?
The CAS number of 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol is 94849-94-2.
What is the molecular formula of 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol?
The molecular formula of 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol is C21H16O.
What is the molecular weight of 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol?
The molecular weight of 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol is 284.12 g/mol.
Where can I buy 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol?
You can request a quote for 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-7,8-dihydrobenzo(a)pyren-7-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.