Benzo(a)pyrene, 3,6-dimethoxy-
TL;DR: Benzo(a)pyrene, 3,6-dimethoxy- (CAS 6966-35-4) is a chemical compound with molecular formula C22H16O2 and molecular weight 312.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethoxybenzo[a]pyrene
Also Known As: benzo[a]pyrene, 3,6-dimethoxy-, 3,6-dimethoxybenzo[a]pyrene, Benzo(a)pyrene, 3,6-dimethoxy-, 3,6-Dimethoxy-benzo[def]chrysen, 3,6-Dimethoxybenzo[pqr]tetraphene
| Molecular Formula | C22H16O2 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.11502 |
| Heavy Atoms | 24 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 6966-35-4 |
|---|---|
| SMILES | COC1=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C(C=C5)C=C1)OC |
| InChIKey | MGZUIFMCVYHRBW-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene, 3,6-dimethoxy- (CAS 6966-35-4), with molecular formula C22H16O2 and molecular weight 312.12 g/mol. IUPAC: 3,6-dimethoxybenzo[a]pyrene.
Chemical Property Profile of Benzo(a)pyrene, 3,6-dimethoxy-
Property Insights of Benzo(a)pyrene, 3,6-dimethoxy-
The XLogP value of 6.7 indicates that Benzo(a)pyrene, 3,6-dimethoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Benzo(a)pyrene, 3,6-dimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene, 3,6-dimethoxy- has 0 hydrogen bond donor(s) and 2 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, 3,6-dimethoxy-?
The CAS number of Benzo(a)pyrene, 3,6-dimethoxy- is 6966-35-4.
What is the molecular formula of Benzo(a)pyrene, 3,6-dimethoxy-?
The molecular formula of Benzo(a)pyrene, 3,6-dimethoxy- is C22H16O2.
What is the molecular weight of Benzo(a)pyrene, 3,6-dimethoxy-?
The molecular weight of Benzo(a)pyrene, 3,6-dimethoxy- is 312.12 g/mol.
Where can I buy Benzo(a)pyrene, 3,6-dimethoxy-?
You can request a quote for Benzo(a)pyrene, 3,6-dimethoxy- 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, 3,6-dimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene, 3,6-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.