3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene
TL;DR: 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene (CAS 134998-76-8) is a chemical compound with molecular formula C20H15NO and molecular weight 285.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitroso-7,8,9,10-tetrahydrobenzo[a]pyrene
Also Known As: 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene, 3-NO-H4-BaP, 3-nitroso-7,8,9,10-tetrahydrobenzo[a]pyrene, Benzo(a)pyrene, 7,8,9,10-tetrahydro-3-nitroso-, Benzo[a]pyrene, 7,8,9,10-tetrahydro-3-nitroso-
| Molecular Formula | C20H15NO |
|---|---|
| Molecular Weight | 285.12 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 285.11536 |
| Heavy Atoms | 22 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 134998-76-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)N=O |
| InChIKey | BQARVUKCXRAJKO-UHFFFAOYSA-N |
Product Overview
3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene (CAS 134998-76-8), with molecular formula C20H15NO and molecular weight 285.12 g/mol. IUPAC: 3-nitroso-7,8,9,10-tetrahydrobenzo[a]pyrene.
Chemical Property Profile of 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene
Property Insights of 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene
The XLogP value of 5.8 indicates that 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene?
The CAS number of 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene is 134998-76-8.
What is the molecular formula of 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene?
The molecular formula of 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene is C20H15NO.
What is the molecular weight of 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene?
The molecular weight of 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene is 285.12 g/mol.
Where can I buy 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene?
You can request a quote for 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitroso-7,8,9,10-tetrahydrobenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.