Benzo(a)pyrene-5-methanol
TL;DR: Benzo(a)pyrene-5-methanol (CAS 29852-45-7) 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-5-ylmethanol
Also Known As: Benzo(a)pyrene-5-methanol, benzo[a]pyren-5-ylmethanol, Poly(1-methylinosinic acid), (Benzo[pqr]tetraphen-5-yl)methanol, Benzo[a]pyrene-5-methanol(8CI,9CI)
| Molecular Formula | C21H14O |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 5.1 |
| 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 | 29852-45-7 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C(=CC5=CC=CC(=C54)C=C3)CO |
| InChIKey | ICOQZYAIEYIFRU-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene-5-methanol (CAS 29852-45-7), with molecular formula C21H14O and molecular weight 282.10 g/mol. IUPAC: benzo[a]pyren-5-ylmethanol.
Chemical Property Profile of Benzo(a)pyrene-5-methanol
Property Insights of Benzo(a)pyrene-5-methanol
The XLogP value of 5.1 indicates that Benzo(a)pyrene-5-methanol 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)pyrene-5-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-5-methanol 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)pyrene-5-methanol?
The CAS number of Benzo(a)pyrene-5-methanol is 29852-45-7.
What is the molecular formula of Benzo(a)pyrene-5-methanol?
The molecular formula of Benzo(a)pyrene-5-methanol is C21H14O.
What is the molecular weight of Benzo(a)pyrene-5-methanol?
The molecular weight of Benzo(a)pyrene-5-methanol is 282.10 g/mol.
Where can I buy Benzo(a)pyrene-5-methanol?
You can request a quote for Benzo(a)pyrene-5-methanol 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-5-methanol?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-5-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.