![3H-Benzo[cd]pyrene structure](/static/products/2188/21888-92-6.webp)
3H-Benzo[cd]pyrene
TL;DR: 3H-Benzo[cd]pyrene (CAS 21888-92-6) is a chemical compound with molecular formula C19H12 and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),13,15(19)-nonaene
Also Known As: 3H-Benzo[cd]pyrene, J1.258.412A, pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),13,15(19),17-nonaene
| Molecular Formula | C19H12 |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.0939 |
| Heavy Atoms | 19 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 21888-92-6 |
|---|---|
| SMILES | C1C=CC2=CC3=CC=CC4=C3C5=C(C=CC1=C25)C=C4 |
| InChIKey | LFBJZFWBDRYIIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3H-Benzo[cd]pyrene (CAS 21888-92-6), with molecular formula C19H12 and molecular weight 240.09 g/mol. IUPAC: pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),13,15(19)-nonaene.
Chemical Property Profile of 3H-Benzo[cd]pyrene
Property Insights of 3H-Benzo[cd]pyrene
The XLogP value of 5.8 indicates that 3H-Benzo[cd]pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3H-Benzo[cd]pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Benzo[cd]pyrene 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 3H-Benzo[cd]pyrene?
The CAS number of 3H-Benzo[cd]pyrene is 21888-92-6.
What is the molecular formula of 3H-Benzo[cd]pyrene?
The molecular formula of 3H-Benzo[cd]pyrene is C19H12.
What is the molecular weight of 3H-Benzo[cd]pyrene?
The molecular weight of 3H-Benzo[cd]pyrene is 240.09 g/mol.
Where can I buy 3H-Benzo[cd]pyrene?
You can request a quote for 3H-Benzo[cd]pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Benzo[cd]pyrene?
Yes, KEHONG BIO provides custom synthesis services for 3H-Benzo[cd]pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.