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1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol
TL;DR: 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol (CAS 120014-85-9) is a chemical compound with molecular formula C20H15NO3 and molecular weight 317.11 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]pyren-7-ol
Also Known As: 12-Nitro-6-chrysenol, 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol, 7,8,9,10-Tetrahydro-1-nitrobenzo(a)pyren-7-ol, Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-1-nitro-, Benzo[a]pyren-7-ol,7,8,9,10-tetrahydro-1-nitro-
| Molecular Formula | C20H15NO3 |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 317.1052 |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 120014-85-9 |
|---|---|
| SMILES | C1CC(C2=C(C1)C3=C4C(=C2)C=CC5=C4C(=C(C=C5)[N+](=O)[O-])C=C3)O |
| InChIKey | ROUCWEBNTWMOKZ-UHFFFAOYSA-N |
Product Overview
1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol (CAS 120014-85-9), with molecular formula C20H15NO3 and molecular weight 317.11 g/mol. IUPAC: 1-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol.
Chemical Property Profile of 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol
Property Insights of 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol
The XLogP value of 4.8 indicates that 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol. Following Lipinski's Rule of Five, 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol has 1 hydrogen bond donor(s) and 3 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 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol?
The CAS number of 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol is 120014-85-9.
What is the molecular formula of 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol?
The molecular formula of 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol is C20H15NO3.
What is the molecular weight of 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol?
The molecular weight of 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol is 317.11 g/mol.
Where can I buy 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol?
You can request a quote for 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol 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]pyren-7-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.