Tetrahydroalstonate d'aminoethanol
TL;DR: Tetrahydroalstonate d'aminoethanol (CAS 77754-96-2) is a chemical compound with molecular formula C22H29N3O4 and molecular weight 399.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethanol;(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 d'aminoethanol, Tetrahydroalstonate d'aminoethanol [French], Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-, compd. with 2-aminoethanol (1:1), 19alpha-Methyl-20alpha-16,17-didehydro-18-oxayohimban-16-carboxylic acid--2-aminoethan-1-ol (1/1), OXAYOHIMBAN-16-CARBOXYLIC ACID 16,17-DIDEHYDRO-19-METHYL-,(19-A,20-A)-,COMPD. WITH 2-AMINOETHANOL (1:1)
| Molecular Formula | C22H29N3O4 |
|---|---|
| Molecular Weight | 399.22 g/mol |
| LogP | 2.0278 |
| Topological Polar Surface Area | 111.81 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.21582 |
| Heavy Atoms | 29 |
| Complexity | 919.91815 |
Chemical Identifiers
| CAS Number | 77754-96-2 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)O)NC5=CC=CC=C45.C(CO)N |
Product Overview
Tetrahydroalstonate d'aminoethanol (CAS 77754-96-2), with molecular formula C22H29N3O4 and molecular weight 399.22 g/mol. IUPAC: 2-aminoethanol;(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 d'aminoethanol
Property Insights of Tetrahydroalstonate d'aminoethanol
The XLogP value of 2.0278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydroalstonate d'aminoethanol. The TPSA of 111.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrahydroalstonate d'aminoethanol. Following Lipinski's Rule of Five, Tetrahydroalstonate d'aminoethanol has 4 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 d'aminoethanol?
The CAS number of Tetrahydroalstonate d'aminoethanol is 77754-96-2.
What is the molecular formula of Tetrahydroalstonate d'aminoethanol?
The molecular formula of Tetrahydroalstonate d'aminoethanol is C22H29N3O4.
What is the molecular weight of Tetrahydroalstonate d'aminoethanol?
The molecular weight of Tetrahydroalstonate d'aminoethanol is 399.22 g/mol.
Where can I buy Tetrahydroalstonate d'aminoethanol?
You can request a quote for Tetrahydroalstonate d'aminoethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydroalstonate d'aminoethanol?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydroalstonate d'aminoethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.