Benzo(a)pyren-7-ylmethanol
TL;DR: Benzo(a)pyren-7-ylmethanol (CAS 78636-32-5) is a chemical compound with molecular formula C21H14O and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[a]pyren-7-ylmethanol
Also Known As: Benzo(a)pyren-7-ylmethanol, Benzo[a]pyrene-7-methanol, benzo[a]pyren-7-ylmethanol, benzo[pqr]tetraphen-7-ylmethanol, (Benzo[pqr]tetraphen-7-yl)methanol
| Molecular Formula | C21H14O |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.10446 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 78636-32-5 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C(C=CC=C45)CO)C=C2 |
| InChIKey | AZFVSUVVTFUOGI-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyren-7-ylmethanol (CAS 78636-32-5), with molecular formula C21H14O and molecular weight 282.10 g/mol. IUPAC: benzo[a]pyren-7-ylmethanol.
Chemical Property Profile of Benzo(a)pyren-7-ylmethanol
Property Insights of Benzo(a)pyren-7-ylmethanol
The XLogP value of 5.5 indicates that Benzo(a)pyren-7-ylmethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Benzo(a)pyren-7-ylmethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyren-7-ylmethanol 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 Benzo(a)pyren-7-ylmethanol?
The CAS number of Benzo(a)pyren-7-ylmethanol is 78636-32-5.
What is the molecular formula of Benzo(a)pyren-7-ylmethanol?
The molecular formula of Benzo(a)pyren-7-ylmethanol is C21H14O.
What is the molecular weight of Benzo(a)pyren-7-ylmethanol?
The molecular weight of Benzo(a)pyren-7-ylmethanol is 282.10 g/mol.
Where can I buy Benzo(a)pyren-7-ylmethanol?
You can request a quote for Benzo(a)pyren-7-ylmethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)pyren-7-ylmethanol?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyren-7-ylmethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.