N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine
TL;DR: N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine (CAS 134359-69-6) is a chemical compound with molecular formula C12H21N5O3 and molecular weight 283.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S,3S)-1,3-diamino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: Naacb-his, N-(2-Amino-1-(aminocarbonyl)-3-methylbutyl)histidine, (2S)-2-[[(2S,3S)-1,3-diamino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoic acid, N-(3-Amino-1-hydroxy-1-imino-4-methylpentan-2-yl)histidine, (1S,2S)-N-<2-amino-1-(aminocarbonyl)-3-methylbutyl>-L-histidine
| Molecular Formula | C12H21N5O3 |
|---|---|
| Molecular Weight | 283.16 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 283.16443 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 134359-69-6 |
|---|---|
| SMILES | CC(C)[C@@H]([C@@H](C(=O)N)N[C@@H](CC1=CN=CN1)C(=O)O)N |
| InChIKey | DSVCFDBACLPEHY-GUBZILKMSA-N |
Product Overview
N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine (CAS 134359-69-6), with molecular formula C12H21N5O3 and molecular weight 283.16 g/mol. IUPAC: (2S)-2-[[(2S,3S)-1,3-diamino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine
Property Insights of N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine
The XLogP value of -3.3 indicates that N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine has 5 hydrogen bond donor(s) and 6 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 N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine?
The CAS number of N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine is 134359-69-6.
What is the molecular formula of N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine?
The molecular formula of N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine is C12H21N5O3.
What is the molecular weight of N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine?
The molecular weight of N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine is 283.16 g/mol.
Where can I buy N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine?
You can request a quote for N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.