10-Azabenzo(a)pyrene 4,5-oxide
TL;DR: 10-Azabenzo(a)pyrene 4,5-oxide (CAS 68735-97-7) is a chemical compound with molecular formula C19H11NO and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-oxa-7-azahexacyclo[10.7.2.03,8.09,20.016,21.017,19]henicosa-1(20),2,4,6,8,10,12(21),13,15-nonaene
Also Known As: 10-Azabenzo(a)pyrene 4,5-oxide, 10-azabenzo pyrene4,5-oxide, 3b,4a-dihydrooxireno[2,3]phenaleno[1,9-gh]quinoline, 4,5-Dihydro-4,5-epoxyphenaleno[1,9-gh]quinoline, Oxireno(2,3)phenaleno(1,9-gh)quinoline, 3b,4a-dihydro-
| Molecular Formula | C19H11NO |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 25.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.08408 |
| Heavy Atoms | 21 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 68735-97-7 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C4C(O4)C5=C3C(=C6C(=C5)C=CC=N6)C=C2 |
| InChIKey | QDFSNNRULRMSIH-UHFFFAOYSA-N |
Product Overview
10-Azabenzo(a)pyrene 4,5-oxide (CAS 68735-97-7), with molecular formula C19H11NO and molecular weight 269.08 g/mol. IUPAC: 18-oxa-7-azahexacyclo[10.7.2.03,8.09,20.016,21.017,19]henicosa-1(20),2,4,6,8,10,12(21),13,15-nonaene.
Chemical Property Profile of 10-Azabenzo(a)pyrene 4,5-oxide
Property Insights of 10-Azabenzo(a)pyrene 4,5-oxide
The XLogP value of 3.8 indicates that 10-Azabenzo(a)pyrene 4,5-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.4 Ų, 10-Azabenzo(a)pyrene 4,5-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-Azabenzo(a)pyrene 4,5-oxide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-Azabenzo(a)pyrene 4,5-oxide?
The CAS number of 10-Azabenzo(a)pyrene 4,5-oxide is 68735-97-7.
What is the molecular formula of 10-Azabenzo(a)pyrene 4,5-oxide?
The molecular formula of 10-Azabenzo(a)pyrene 4,5-oxide is C19H11NO.
What is the molecular weight of 10-Azabenzo(a)pyrene 4,5-oxide?
The molecular weight of 10-Azabenzo(a)pyrene 4,5-oxide is 269.08 g/mol.
Where can I buy 10-Azabenzo(a)pyrene 4,5-oxide?
You can request a quote for 10-Azabenzo(a)pyrene 4,5-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Azabenzo(a)pyrene 4,5-oxide?
Yes, KEHONG BIO provides custom synthesis services for 10-Azabenzo(a)pyrene 4,5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.