11-Hydroxymethylbenzo(a)pyrene
TL;DR: 11-Hydroxymethylbenzo(a)pyrene (CAS 94500-53-5) 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-11-ylmethanol
Also Known As: 11-Hydroxymethylbenzo(a)pyrene, benzo[a]pyren-11-ylmethanol, benzo[pqr]tetraphen-11-ylmethanol, Benzo[a]pyrene-11-methanol(9CI), (Benzo[pqr]tetraphen-11-yl)methanol
| Molecular Formula | C21H14O |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 5.4 |
| 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 | 94500-53-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C(=CC5=CC=C4)CO |
| InChIKey | PJBXZHYQBHKPGT-UHFFFAOYSA-N |
Product Overview
11-Hydroxymethylbenzo(a)pyrene (CAS 94500-53-5), with molecular formula C21H14O and molecular weight 282.10 g/mol. IUPAC: benzo[a]pyren-11-ylmethanol.
Chemical Property Profile of 11-Hydroxymethylbenzo(a)pyrene
Property Insights of 11-Hydroxymethylbenzo(a)pyrene
The XLogP value of 5.4 indicates that 11-Hydroxymethylbenzo(a)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 11-Hydroxymethylbenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-Hydroxymethylbenzo(a)pyrene 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 11-Hydroxymethylbenzo(a)pyrene?
The CAS number of 11-Hydroxymethylbenzo(a)pyrene is 94500-53-5.
What is the molecular formula of 11-Hydroxymethylbenzo(a)pyrene?
The molecular formula of 11-Hydroxymethylbenzo(a)pyrene is C21H14O.
What is the molecular weight of 11-Hydroxymethylbenzo(a)pyrene?
The molecular weight of 11-Hydroxymethylbenzo(a)pyrene is 282.10 g/mol.
Where can I buy 11-Hydroxymethylbenzo(a)pyrene?
You can request a quote for 11-Hydroxymethylbenzo(a)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Hydroxymethylbenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 11-Hydroxymethylbenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.