2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol
TL;DR: 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol (CAS 138090-33-2) is a chemical compound with molecular formula C22H23NO3 and molecular weight 349.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,11-diethyl-8-nitro-5,6,11,12-tetrahydrochrysen-2-ol
Also Known As: Thcno2, 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol, 5,11-diethyl-8-nitro-5,6,11,12-tetrahydrochrysen-2-ol, 2-Chrysenol,5,11-diethyl-5,6,11,12-tetrahydro-8-nitro-, trans- (9CI), L-Valine, N-[N-[N-(1-L-asparaginyl-L-prolyl)-L-threonyl]-L-seryl]-
| Molecular Formula | C22H23NO3 |
|---|---|
| Molecular Weight | 349.17 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.1678 |
| Heavy Atoms | 26 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 138090-33-2 |
|---|---|
| SMILES | CCC1CC2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C4=C(CC3CC)C=C(C=C4)O |
| InChIKey | FLNNJDAUTHCVAU-UHFFFAOYSA-N |
Product Overview
2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol (CAS 138090-33-2), with molecular formula C22H23NO3 and molecular weight 349.17 g/mol. IUPAC: 5,11-diethyl-8-nitro-5,6,11,12-tetrahydrochrysen-2-ol.
Chemical Property Profile of 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol
Property Insights of 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol
The XLogP value of 5.2 indicates that 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-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 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol. Following Lipinski's Rule of Five, 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol?
The CAS number of 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol is 138090-33-2.
What is the molecular formula of 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol?
The molecular formula of 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol is C22H23NO3.
What is the molecular weight of 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol?
The molecular weight of 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol is 349.17 g/mol.
Where can I buy 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol?
You can request a quote for 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-5,11-diethyl-5,6,11,12-tetrahydrochrysen-8-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.