12-Methylbenzo(b)fluoranthrene
TL;DR: 12-Methylbenzo(b)fluoranthrene (CAS 95741-47-2) is a chemical compound with molecular formula C21H14 and molecular weight 266.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
Also Known As: 12-Methylbenzo(b)fluoranthrene, 12-Methylbenzo(b)fluoranthene, NIOSH/CU1595500, 12-Methylbenzo[b]fluoranthene, 12-Methylbenz(e)acephenanthrylene
| Molecular Formula | C21H14 |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.10956 |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 95741-47-2 |
|---|---|
| SMILES | CC1=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=CC=C1 |
| InChIKey | GCINNQHKSCGXCW-UHFFFAOYSA-N |
Product Overview
12-Methylbenzo(b)fluoranthrene (CAS 95741-47-2), with molecular formula C21H14 and molecular weight 266.11 g/mol. IUPAC: 3-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene.
Chemical Property Profile of 12-Methylbenzo(b)fluoranthrene
Property Insights of 12-Methylbenzo(b)fluoranthrene
The XLogP value of 6.1 indicates that 12-Methylbenzo(b)fluoranthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 12-Methylbenzo(b)fluoranthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Methylbenzo(b)fluoranthrene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-Methylbenzo(b)fluoranthrene?
The CAS number of 12-Methylbenzo(b)fluoranthrene is 95741-47-2.
What is the molecular formula of 12-Methylbenzo(b)fluoranthrene?
The molecular formula of 12-Methylbenzo(b)fluoranthrene is C21H14.
What is the molecular weight of 12-Methylbenzo(b)fluoranthrene?
The molecular weight of 12-Methylbenzo(b)fluoranthrene is 266.11 g/mol.
Where can I buy 12-Methylbenzo(b)fluoranthrene?
You can request a quote for 12-Methylbenzo(b)fluoranthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Methylbenzo(b)fluoranthrene?
Yes, KEHONG BIO provides custom synthesis services for 12-Methylbenzo(b)fluoranthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.