3-Hydroxy-6,12-dimethoxybenzo(a)pyrene
TL;DR: 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene (CAS 74192-61-3) is a chemical compound with molecular formula C22H16O3 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,12-dimethoxybenzo[a]pyren-3-ol
Also Known As: 6,12-dimethoxybenzo[a]pyren-3-ol, 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene, 6,12-dimethoxybenzo[pqr]tetraphen-3-ol, Benzo(a)pyren-3-ol, 6,12-dimethoxy-
| Molecular Formula | C22H16O3 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.10995 |
| Heavy Atoms | 25 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 74192-61-3 |
|---|---|
| SMILES | COC1=C2C=CC(=C3C2=C4C(=C(C5=CC=CC=C5C4=C1)OC)C=C3)O |
| InChIKey | CBDZMWAQMIRRMD-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-6,12-dimethoxybenzo(a)pyrene (CAS 74192-61-3), with molecular formula C22H16O3 and molecular weight 328.11 g/mol. IUPAC: 6,12-dimethoxybenzo[a]pyren-3-ol.
Chemical Property Profile of 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene
Property Insights of 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene
The XLogP value of 5.9 indicates that 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene?
The CAS number of 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene is 74192-61-3.
What is the molecular formula of 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene?
The molecular formula of 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene is C22H16O3.
What is the molecular weight of 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene?
The molecular weight of 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene is 328.11 g/mol.
Where can I buy 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene?
You can request a quote for 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-6,12-dimethoxybenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.