Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)-
TL;DR: Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)- (CAS 116764-29-5) is a chemical compound with molecular formula C53H81N13O8 and molecular weight 1027.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-2-[[(4S,7R,7aS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-3-phenylpropanoyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-amino-4-methylpentanamide
Also Known As: Nlaalp, Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)-, N(beta)-(Leu-arg-arg-leu-phe)-naltrexamine, Naltrexamine, N(beta)-(leucyl-argininyl-arginyl-leucyl-phenylalanine)-, (2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-2-[[(4S,7R,7aS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-3-phenylpropanoyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-amino-4-methylpentanamide
| Molecular Formula | C53H81N13O8 |
|---|---|
| Molecular Weight | 1027.63 g/mol |
| LogP | 0.1497 |
| Topological Polar Surface Area | 353.25 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 26 |
| Exact Mass | 1027.633 |
| Heavy Atoms | 74 |
| Complexity | 2392.0483 |
Chemical Identifiers
| CAS Number | 116764-29-5 |
|---|---|
| SMILES | CC(C)C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CC(C)C)C(=O)NC(=O)[C@@H](CC1=CC=CC=C1)N[C@@H]2CCC3([C@@H]4CC5=C6C3([C@@H]2OC6=C(C=C5)O)CCN4CC7CC7)O)N |
Product Overview
Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)- (CAS 116764-29-5), with molecular formula C53H81N13O8 and molecular weight 1027.63 g/mol. IUPAC: (2R)-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-2-[[(4S,7R,7aS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-3-phenylpropanoyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-amino-4-methylpentanamide.
Chemical Property Profile of Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)-
Property Insights of Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)-
The XLogP value of 0.1497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)-. The TPSA of 353.25 Ų indicates high polarity, suggesting Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)- has 12 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)-?
The CAS number of Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)- is 116764-29-5.
What is the molecular formula of Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)-?
The molecular formula of Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)- is C53H81N13O8.
What is the molecular weight of Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)-?
The molecular weight of Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)- is 1027.63 g/mol.
Where can I buy Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)-?
You can request a quote for Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)-?
Yes, KEHONG BIO provides custom synthesis services for Naltrexamine, N(beta)-(leu-arg-arg-leu-phe)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.