2-Benzo(a)pyren-6-ylcyclohexan-1-ol
TL;DR: 2-Benzo(a)pyren-6-ylcyclohexan-1-ol (CAS 111209-31-5) is a chemical compound with molecular formula C26H22O and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzo[b]pyren-6-ylcyclohexan-1-ol
Also Known As: 2-Benzo(a)pyren-6-ylcyclohexan-1-ol, 2-benzo[b]pyren-6-ylcyclohexan-1-ol, Cyclohexan-1-ol, 2-benzo(a)pyren-6-yl-, 2-(Benzo[pqr]tetraphen-6-yl)cyclohexan-1-ol
| Molecular Formula | C26H22O |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.16705 |
| Heavy Atoms | 27 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 111209-31-5 |
|---|---|
| SMILES | C1CCC(C(C1)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62)O |
| InChIKey | MRRGFAYNKJTXJK-UHFFFAOYSA-N |
Product Overview
2-Benzo(a)pyren-6-ylcyclohexan-1-ol (CAS 111209-31-5), with molecular formula C26H22O and molecular weight 350.17 g/mol. IUPAC: 2-benzo[b]pyren-6-ylcyclohexan-1-ol.
Chemical Property Profile of 2-Benzo(a)pyren-6-ylcyclohexan-1-ol
Property Insights of 2-Benzo(a)pyren-6-ylcyclohexan-1-ol
The XLogP value of 7.1 indicates that 2-Benzo(a)pyren-6-ylcyclohexan-1-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, 2-Benzo(a)pyren-6-ylcyclohexan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzo(a)pyren-6-ylcyclohexan-1-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 2-Benzo(a)pyren-6-ylcyclohexan-1-ol?
The CAS number of 2-Benzo(a)pyren-6-ylcyclohexan-1-ol is 111209-31-5.
What is the molecular formula of 2-Benzo(a)pyren-6-ylcyclohexan-1-ol?
The molecular formula of 2-Benzo(a)pyren-6-ylcyclohexan-1-ol is C26H22O.
What is the molecular weight of 2-Benzo(a)pyren-6-ylcyclohexan-1-ol?
The molecular weight of 2-Benzo(a)pyren-6-ylcyclohexan-1-ol is 350.17 g/mol.
Where can I buy 2-Benzo(a)pyren-6-ylcyclohexan-1-ol?
You can request a quote for 2-Benzo(a)pyren-6-ylcyclohexan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzo(a)pyren-6-ylcyclohexan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzo(a)pyren-6-ylcyclohexan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.