Benzo(a)pyrene-7-methanol, 3-hydroxy-
TL;DR: Benzo(a)pyrene-7-methanol, 3-hydroxy- (CAS 79418-86-3) is a chemical compound with molecular formula C21H14O2 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(hydroxymethyl)benzo[a]pyren-3-ol
Also Known As: Benzo(a)pyrene-7-methanol, 3-hydroxy-, 7-(hydroxymethyl)benzo[a]pyren-3-ol, 7-(hydroxymethyl)benzo[pqr]tetraphen-3-ol
| Molecular Formula | C21H14O2 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.09937 |
| Heavy Atoms | 23 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 79418-86-3 |
|---|---|
| SMILES | C1=CC(=C2C=C3C=CC4=C(C=CC5=C4C3=C(C2=C1)C=C5)O)CO |
| InChIKey | NXYDPLHGPNITDB-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene-7-methanol, 3-hydroxy- (CAS 79418-86-3), with molecular formula C21H14O2 and molecular weight 298.10 g/mol. IUPAC: 7-(hydroxymethyl)benzo[a]pyren-3-ol.
Chemical Property Profile of Benzo(a)pyrene-7-methanol, 3-hydroxy-
Property Insights of Benzo(a)pyrene-7-methanol, 3-hydroxy-
The XLogP value of 5.0 indicates that Benzo(a)pyrene-7-methanol, 3-hydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Benzo(a)pyrene-7-methanol, 3-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-7-methanol, 3-hydroxy- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo(a)pyrene-7-methanol, 3-hydroxy-?
The CAS number of Benzo(a)pyrene-7-methanol, 3-hydroxy- is 79418-86-3.
What is the molecular formula of Benzo(a)pyrene-7-methanol, 3-hydroxy-?
The molecular formula of Benzo(a)pyrene-7-methanol, 3-hydroxy- is C21H14O2.
What is the molecular weight of Benzo(a)pyrene-7-methanol, 3-hydroxy-?
The molecular weight of Benzo(a)pyrene-7-methanol, 3-hydroxy- is 298.10 g/mol.
Where can I buy Benzo(a)pyrene-7-methanol, 3-hydroxy-?
You can request a quote for Benzo(a)pyrene-7-methanol, 3-hydroxy- 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-7-methanol, 3-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-7-methanol, 3-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.