![(3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid structure](/static/products/181/181941-32-2.png)
(3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid
TL;DR: (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid (CAS 181941-32-2) is a chemical compound with molecular formula C33H38FN3O5 and molecular weight 575.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid
Also Known As: (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid, (3S)-3-[(2R)-2-{[(adamantan-2-yloxy)carbonyl]amino}-2-[(1H-indol-3-yl)methyl]propanamido]-4-(4-fluorophenyl)butanoic acid, (S)-4-(4-Fluorophenyl)-3-[[(R)-2-[[(2-adamantyloxy)carbonyl]amino]-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]butanoic acid
| Molecular Formula | C33H38FN3O5 |
|---|---|
| Molecular Weight | 575.28 g/mol |
| LogP | 5.3613 |
| Topological Polar Surface Area | 120.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 575.27954 |
| Heavy Atoms | 42 |
| Complexity | 1441.8517 |
Chemical Identifiers
| CAS Number | 181941-32-2 |
|---|---|
| SMILES | C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)N[C@@H](CC3=CC=C(C=C3)F)CC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6 |
Product Overview
(3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid (CAS 181941-32-2), with molecular formula C33H38FN3O5 and molecular weight 575.28 g/mol. IUPAC: (3S)-3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid.
Chemical Property Profile of (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid
Property Insights of (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid
The XLogP value of 5.3613 indicates that (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid. Following Lipinski's Rule of Five, (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid?
The CAS number of (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid is 181941-32-2.
What is the molecular formula of (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid?
The molecular formula of (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid is C33H38FN3O5.
What is the molecular weight of (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid?
The molecular weight of (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid is 575.28 g/mol.
Where can I buy (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid?
You can request a quote for (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.