Tox21_300207
TL;DR: Tox21_300207 (CAS 199171-88-5) is a chemical compound with molecular formula C23H29N3O2 and molecular weight 379.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-4-(1-cyclohexyl-3-ethylindazol-6-yl)cyclohexane-1-carboxylic acid
Also Known As: Tox21_300207, CAS-199171-88-5, 4-cyano-4-(1-cyclohexyl-3-ethyl-indazol-6-yl)cyclohexane-1-carboxylic Acid, (1s,4s)-4-Cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)cyclohexane-1-carboxylic acid, RefChem:334482
| Molecular Formula | C23H29N3O2 |
|---|---|
| Molecular Weight | 379.23 g/mol |
| LogP | 5.14008 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.22598 |
| Heavy Atoms | 28 |
| Complexity | 909.8057 |
Chemical Identifiers
| CAS Number | 199171-88-5 |
|---|---|
| SMILES | CCC1=NN(C2=C1C=CC(=C2)C3(CCC(CC3)C(=O)O)C#N)C4CCCCC4 |
Product Overview
Tox21_300207 (CAS 199171-88-5), with molecular formula C23H29N3O2 and molecular weight 379.23 g/mol. IUPAC: 4-cyano-4-(1-cyclohexyl-3-ethylindazol-6-yl)cyclohexane-1-carboxylic acid.
Chemical Property Profile of Tox21_300207
Property Insights of Tox21_300207
The XLogP value of 5.14008 indicates that Tox21_300207 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Tox21_300207. Following Lipinski's Rule of Five, Tox21_300207 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 Tox21_300207?
The CAS number of Tox21_300207 is 199171-88-5.
What is the molecular formula of Tox21_300207?
The molecular formula of Tox21_300207 is C23H29N3O2.
What is the molecular weight of Tox21_300207?
The molecular weight of Tox21_300207 is 379.23 g/mol.
Where can I buy Tox21_300207?
You can request a quote for Tox21_300207 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tox21_300207?
Yes, KEHONG BIO provides custom synthesis services for Tox21_300207 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.