5-Carboxytetrahydroalstonine
TL;DR: 5-Carboxytetrahydroalstonine (CAS 133541-29-4) is a chemical compound with molecular formula C24H28N2O5 and molecular weight 424.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,12S,15R,16S,20R)-16-methyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-12-carboxylate;propan-2-one
Also Known As: 5-Carboxytetrahydroalstonine, 5-Cehas, Methyl 7,8,13,13b,14,14a-hexahydro-4-methyl-5-oxo-4H-indolo-(2,3-a)pyrano(3,4-g)quinolizine-7-carboxylate, methyl (1S,12S,15R,16S,20R)-16-methyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-12-carboxylate;propan-2-one, Methyl 19alpha-methyl-21-oxo-20alpha-16,17-didehydro-18-oxayohimban-5beta-carboxylate--propan-2-one (1/1)
| Molecular Formula | C24H28N2O5 |
|---|---|
| Molecular Weight | 424.20 g/mol |
| LogP | 3.2991 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 424.19983 |
| Heavy Atoms | 31 |
| Complexity | 1051.417 |
Chemical Identifiers
| CAS Number | 133541-29-4 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@H]3C4=C(C[C@H](N3C2=O)C(=O)OC)C5=CC=CC=C5N4)C=CO1.CC(=O)C |
Product Overview
5-Carboxytetrahydroalstonine (CAS 133541-29-4), with molecular formula C24H28N2O5 and molecular weight 424.20 g/mol. IUPAC: methyl (1S,12S,15R,16S,20R)-16-methyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-12-carboxylate;propan-2-one.
Chemical Property Profile of 5-Carboxytetrahydroalstonine
Property Insights of 5-Carboxytetrahydroalstonine
The XLogP value of 3.2991 indicates that 5-Carboxytetrahydroalstonine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Carboxytetrahydroalstonine. Following Lipinski's Rule of Five, 5-Carboxytetrahydroalstonine has 1 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 5-Carboxytetrahydroalstonine?
The CAS number of 5-Carboxytetrahydroalstonine is 133541-29-4.
What is the molecular formula of 5-Carboxytetrahydroalstonine?
The molecular formula of 5-Carboxytetrahydroalstonine is C24H28N2O5.
What is the molecular weight of 5-Carboxytetrahydroalstonine?
The molecular weight of 5-Carboxytetrahydroalstonine is 424.20 g/mol.
Where can I buy 5-Carboxytetrahydroalstonine?
You can request a quote for 5-Carboxytetrahydroalstonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Carboxytetrahydroalstonine?
Yes, KEHONG BIO provides custom synthesis services for 5-Carboxytetrahydroalstonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.