Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D-
TL;DR: Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D- (CAS 81072-25-5) is a chemical compound with molecular formula C32H49NO7 and molecular weight 559.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R)-1-[[(8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-1-oxopropan-2-yl]amino]methyl 2,2-dimethylpropanoate
Also Known As: Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D-, 3-[(N-{[(2,2-Dimethylpropanoyl)oxy]methyl}alanyl)oxy]-14-hydroxycard-20(22)-enolide, (14xi)-3-[(N-{[(2,2-Dimethylpropanoyl)oxy]methyl}-D-alanyl)oxy]-14-hydroxycard-20(22)-enolide, [[(2R)-1-[[(8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-1-oxopropan-2-yl]amino]methyl 2,2-dimethylpropanoate, Card-20(22)-enolide, 3,14-dihydroxy-, 3-ester with N-(2,2-dimethyl-1-oxopropoxy)methylalanine
| Molecular Formula | C32H49NO7 |
|---|---|
| Molecular Weight | 559.35 g/mol |
| LogP | 4.6801 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 559.3509 |
| Heavy Atoms | 40 |
| Complexity | 1063.9724 |
Chemical Identifiers
| CAS Number | 81072-25-5 |
|---|---|
| SMILES | C[C@H](C(=O)OC1CC[C@@]2([C@H]3CC[C@@]4([C@H](CCC4([C@@H]3CCC2C1)O)C5=CC(=O)OC5)C)C)NCOC(=O)C(C)(C)C |
Product Overview
Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D- (CAS 81072-25-5), with molecular formula C32H49NO7 and molecular weight 559.35 g/mol. IUPAC: [[(2R)-1-[[(8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-1-oxopropan-2-yl]amino]methyl 2,2-dimethylpropanoate.
Chemical Property Profile of Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D-
Property Insights of Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D-
The XLogP value of 4.6801 indicates that Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D-. Following Lipinski's Rule of Five, Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D-?
The CAS number of Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D- is 81072-25-5.
What is the molecular formula of Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D-?
The molecular formula of Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D- is C32H49NO7.
What is the molecular weight of Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D-?
The molecular weight of Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D- is 559.35 g/mol.
Where can I buy Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D-?
You can request a quote for Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.