1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene
TL;DR: 1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene (CAS 88598-56-5) is a chemical compound with molecular formula C20H15NO2 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene
Also Known As: 1-nitro-H(4)BAP, 1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene, 7,8,9,10-Tetrahydro-1-nitrobenzo(a)pyrene, 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene, 1-nitro-7,8,9,10-tetrahydrobenzo pyrene
| Molecular Formula | C20H15NO2 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 301.1103 |
| Heavy Atoms | 23 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 88598-56-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C=C3C=CC4=C5C3=C2C=CC5=C(C=C4)[N+](=O)[O-] |
| InChIKey | GZPLNLYPOUPYOX-UHFFFAOYSA-N |
Product Overview
1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene (CAS 88598-56-5), with molecular formula C20H15NO2 and molecular weight 301.11 g/mol. IUPAC: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene.
Chemical Property Profile of 1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene
Property Insights of 1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene
The XLogP value of 6.2 indicates that 1-Nitro-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 45.8 Ų, 1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-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 1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene?
The CAS number of 1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene is 88598-56-5.
What is the molecular formula of 1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene?
The molecular formula of 1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene is C20H15NO2.
What is the molecular weight of 1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene?
The molecular weight of 1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene is 301.11 g/mol.
Where can I buy 1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene?
You can request a quote for 1-Nitro-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 1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.