Leualacin
TL;DR: Leualacin (CAS 128140-12-5) is a chemical compound with molecular formula C31H47N3O7 and molecular weight 573.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(4S,6S)-4-amino-7-(3-aminopropanoyl)-6-formyl-9-hydroxy-2,11-dimethyl-5,8-dioxo-7-phenyldodecan-6-yl]-2-hydroxy-N,4-dimethylpent-4-enamide
Also Known As: Leualacin, (2S)-N-[(4S,6S)-4-amino-7-(3-aminopropanoyl)-6-formyl-9-hydroxy-2,11-dimethyl-5,8-dioxo-7-phenyldodecan-6-yl]-2-hydroxy-N,4-dimethylpent-4-enamide, Cyclo(beta-alanyl-4-methyl-D-2-hydroxypentanoyl-L-leucyl-4-methyl-L-2-hydroxypentanoyl-N-methyl-L-phenylalanyl), Cyclo(beta-alanyl-4-methyl-2-hydroxypentanoylleucyl-4-methyl-2-hydroxypentanoyl-N-methylphenylalanyl), N-[4-amino-7-(3-aminopropanoyl)-6-formyl-9-hydroxy-2,11-dimethyl-5,8-dioxo-7-phenyldodecan-6-yl]-2-hydroxy-N,4-dimethylpent-4-enamide
| Molecular Formula | C31H47N3O7 |
|---|---|
| Molecular Weight | 573.34 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 573.34143 |
| Heavy Atoms | 41 |
| Complexity | 959.0 |
Chemical Identifiers
| CAS Number | 128140-12-5 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)[C@@](C=O)(C(C1=CC=CC=C1)(C(=O)CCN)C(=O)C(CC(C)C)O)N(C)C(=O)[C@H](CC(=C)C)O)N |
| InChIKey | ZPYMSTAWPQJBRU-DJQJIUKYSA-N |
Product Overview
Leualacin (CAS 128140-12-5), with molecular formula C31H47N3O7 and molecular weight 573.34 g/mol. IUPAC: (2S)-N-[(4S,6S)-4-amino-7-(3-aminopropanoyl)-6-formyl-9-hydroxy-2,11-dimethyl-5,8-dioxo-7-phenyldodecan-6-yl]-2-hydroxy-N,4-dimethylpent-4-enamide.
Chemical Property Profile of Leualacin
Property Insights of Leualacin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Leualacin. The TPSA of 181.0 Ų indicates high polarity, suggesting Leualacin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Leualacin has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Leualacin?
The CAS number of Leualacin is 128140-12-5.
What is the molecular formula of Leualacin?
The molecular formula of Leualacin is C31H47N3O7.
What is the molecular weight of Leualacin?
The molecular weight of Leualacin is 573.34 g/mol.
Where can I buy Leualacin?
You can request a quote for Leualacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Leualacin?
Yes, KEHONG BIO provides custom synthesis services for Leualacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.