BENZO(a)PYRENE, 3-METHOXY-
TL;DR: BENZO(a)PYRENE, 3-METHOXY- (CAS 63059-68-7) 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.
3-methoxybenzo[a]pyrene
Also Known As: 3-Methoxy Benzopyrene, 3-methoxybenzo[a]pyrene, BENZO(a)PYRENE, 3-METHOXY-, 8-Methoxy-3,4-benzpyrene, 3-Methoxy Benzo[a]pyrene
| Molecular Formula | C21H14O |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.10446 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 63059-68-7 |
|---|---|
| SMILES | COC1=C2C=CC3=CC4=CC=CC=C4C5=C3C2=C(C=C5)C=C1 |
| InChIKey | YVMDKKLTTOBGIC-UHFFFAOYSA-N |
Product Overview
BENZO(a)PYRENE, 3-METHOXY- (CAS 63059-68-7), with molecular formula C21H14O and molecular weight 282.10 g/mol. IUPAC: 3-methoxybenzo[a]pyrene.
Chemical Property Profile of BENZO(a)PYRENE, 3-METHOXY-
Property Insights of BENZO(a)PYRENE, 3-METHOXY-
The XLogP value of 6.7 indicates that BENZO(a)PYRENE, 3-METHOXY- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, BENZO(a)PYRENE, 3-METHOXY- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BENZO(a)PYRENE, 3-METHOXY- has 0 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, 3-METHOXY-?
The CAS number of BENZO(a)PYRENE, 3-METHOXY- is 63059-68-7.
What is the molecular formula of BENZO(a)PYRENE, 3-METHOXY-?
The molecular formula of BENZO(a)PYRENE, 3-METHOXY- is C21H14O.
What is the molecular weight of BENZO(a)PYRENE, 3-METHOXY-?
The molecular weight of BENZO(a)PYRENE, 3-METHOXY- is 282.10 g/mol.
Where can I buy BENZO(a)PYRENE, 3-METHOXY-?
You can request a quote for BENZO(a)PYRENE, 3-METHOXY- 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-METHOXY-?
Yes, KEHONG BIO provides custom synthesis services for BENZO(a)PYRENE, 3-METHOXY- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.