Tetrahydroalstonate de creatinol
TL;DR: Tetrahydroalstonate de creatinol (CAS 77754-97-3) is a chemical compound with molecular formula C24H33N5O4 and molecular weight 455.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyethyl)-1-methylguanidine;(1S,15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylic acid
Also Known As: Tetrahydroalstonate de creatinol, Tetrahydroalstonate de creatinol [French], Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-, compd. with N-(2-hydroxyethyl)-N-methylguqnidine (1:1), 19alpha-Methyl-20alpha-16,17-didehydro-18-oxayohimban-16-carboxylic acid--N-(2-hydroxyethyl)-N-methylguanidine (1/1), OXAYOHIMBAN-16-CARBOXYLIC ACID 16,17-DIDEHYDRO-19-METHYL-,(19-A,20-A)-,COMPD. WITH N-(2-HYDROXYETHYL)-N-METHYLGUQNIDINE (1:1)
| Molecular Formula | C24H33N5O4 |
|---|---|
| Molecular Weight | 455.25 g/mol |
| LogP | 1.89437 |
| Topological Polar Surface Area | 138.9 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.25327 |
| Heavy Atoms | 33 |
| Complexity | 1064.3019 |
Chemical Identifiers
| CAS Number | 77754-97-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)O)NC5=CC=CC=C45.CN(CCO)C(=N)N |
Product Overview
Tetrahydroalstonate de creatinol (CAS 77754-97-3), with molecular formula C24H33N5O4 and molecular weight 455.25 g/mol. IUPAC: 1-(2-hydroxyethyl)-1-methylguanidine;(1S,15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylic acid.
Chemical Property Profile of Tetrahydroalstonate de creatinol
Property Insights of Tetrahydroalstonate de creatinol
The XLogP value of 1.89437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydroalstonate de creatinol. The TPSA of 138.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrahydroalstonate de creatinol. Following Lipinski's Rule of Five, Tetrahydroalstonate de creatinol has 5 hydrogen bond donor(s) and 5 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 Tetrahydroalstonate de creatinol?
The CAS number of Tetrahydroalstonate de creatinol is 77754-97-3.
What is the molecular formula of Tetrahydroalstonate de creatinol?
The molecular formula of Tetrahydroalstonate de creatinol is C24H33N5O4.
What is the molecular weight of Tetrahydroalstonate de creatinol?
The molecular weight of Tetrahydroalstonate de creatinol is 455.25 g/mol.
Where can I buy Tetrahydroalstonate de creatinol?
You can request a quote for Tetrahydroalstonate de creatinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydroalstonate de creatinol?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydroalstonate de creatinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.