苯并(pqr)四苯-6-甲腈
TL;DR: 苯并(pqr)四苯-6-甲腈 (CAS 24240-49-1) is a chemical compound with molecular formula C21H11N and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯并(pqr)四苯-6-甲腈
benzo[b]pyrene-6-carbonitrile
Also Known As: benzo[a]pyrene-6-carbonitrile, benzo[b]pyrene-6-carbonitrile, benzo[pqr]tetraphene-6-carbonitrile, Benzo(a)pyrene-6-carbonitrile, Benzo(pqr)tetraphene-6-carbonitrile
| Molecular Formula | C21H11N |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 277.08914 |
| Heavy Atoms | 22 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 24240-49-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2C#N)C=CC5=CC=CC(=C54)C=C3 |
| InChIKey | RCCVMKDMDWYOHS-UHFFFAOYSA-N |
Product Overview
苯并(pqr)四苯-6-甲腈 (CAS 24240-49-1), with molecular formula C21H11N and molecular weight 277.09 g/mol. IUPAC: benzo[b]pyrene-6-carbonitrile.
Chemical Property Profile of 苯并(pqr)四苯-6-甲腈
Property Insights of 苯并(pqr)四苯-6-甲腈
The XLogP value of 6.1 indicates that 苯并(pqr)四苯-6-甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 苯并(pqr)四苯-6-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯并(pqr)四苯-6-甲腈 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 苯并(pqr)四苯-6-甲腈?
The CAS number of 苯并(pqr)四苯-6-甲腈 is 24240-49-1.
What is the molecular formula of 苯并(pqr)四苯-6-甲腈?
The molecular formula of 苯并(pqr)四苯-6-甲腈 is C21H11N.
What is the molecular weight of 苯并(pqr)四苯-6-甲腈?
The molecular weight of 苯并(pqr)四苯-6-甲腈 is 277.09 g/mol.
Where can I buy 苯并(pqr)四苯-6-甲腈?
You can request a quote for 苯并(pqr)四苯-6-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯并(pqr)四苯-6-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 苯并(pqr)四苯-6-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.