1fiv
TL;DR: 1fiv (CAS 165074-99-7) is a chemical compound with molecular formula C46H58N6O9 and molecular weight 838.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: 1fiv, LP 149, ACE-NAL-VAL-STA-GLU-NAM, LP 130, L-Alaninamide, N-acetyl-3-(1-naphthalenyl)-L-alanyl-L-valyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-(2S)-2-aminobutanoyl-3-(1-naphthalenyl)-
| Molecular Formula | C46H58N6O9 |
|---|---|
| Molecular Weight | 838.43 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 246.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 22 |
| Exact Mass | 838.4265 |
| Heavy Atoms | 61 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 165074-99-7 |
|---|---|
| SMILES | CC(C)C[C@@H]([C@H](CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC2=CC=CC=C21)C(=O)N)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC4=CC=CC=C43)NC(=O)C |
| InChIKey | CFJSRALSOWEJGV-WAGJPQHASA-N |
Product Overview
1fiv (CAS 165074-99-7), with molecular formula C46H58N6O9 and molecular weight 838.43 g/mol. IUPAC: (4S)-4-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of 1fiv
Property Insights of 1fiv
The XLogP value of 4.6 indicates that 1fiv is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 246.0 Ų indicates high polarity, suggesting 1fiv may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1fiv has 8 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 1fiv?
The CAS number of 1fiv is 165074-99-7.
What is the molecular formula of 1fiv?
The molecular formula of 1fiv is C46H58N6O9.
What is the molecular weight of 1fiv?
The molecular weight of 1fiv is 838.43 g/mol.
Where can I buy 1fiv?
You can request a quote for 1fiv directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1fiv?
Yes, KEHONG BIO provides custom synthesis services for 1fiv and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.