L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1)
TL;DR: L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1) (CAS 94135-18-9) is a chemical compound with molecular formula C24H33N3O6 and molecular weight 459.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-aminobutanedioic acid;(9R,10S,12S,13S,14R,16S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Also Known As: Ajmaline aspartate, L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1), L-Aspartic acid, compound with (17R,21alpha)-ajmalan-17,21-diol (1:1), RefChem:1088136, EINECS 302-887-2
| Molecular Formula | C24H33N3O6 |
|---|---|
| Molecular Weight | 459.24 g/mol |
| LogP | 0.4275 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.23694 |
| Heavy Atoms | 33 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 94135-18-9 |
|---|---|
| SMILES | CC[C@H]1[C@H]2C[C@H]3[C@H]4C5(C[C@@H](C2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4C.C([C@@H](C(=O)O)N)C(=O)O |
| InChIKey | VCWIFMKCDNQZDM-CVCKMUHGSA-N |
Product Overview
L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1) (CAS 94135-18-9), with molecular formula C24H33N3O6 and molecular weight 459.24 g/mol. IUPAC: (2S)-2-aminobutanedioic acid;(9R,10S,12S,13S,14R,16S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol.
Chemical Property Profile of L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1)
Property Insights of L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1)
The XLogP value of 0.4275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1). The TPSA of 148.0 Ų indicates high polarity, suggesting L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1) has 5 hydrogen bond donor(s) and 9 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 L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1)?
The CAS number of L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1) is 94135-18-9.
What is the molecular formula of L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1)?
The molecular formula of L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1) is C24H33N3O6.
What is the molecular weight of L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1)?
The molecular weight of L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1) is 459.24 g/mol.
Where can I buy L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1)?
You can request a quote for L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1)?
Yes, KEHONG BIO provides custom synthesis services for L-Aspartic acid, compd. with (17R,21-alpha)-ajmalan-17,21-diol (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.