(S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate
TL;DR: (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate (CAS 68762-05-0) is a chemical compound with molecular formula C26H31N3O5 and molecular weight 465.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1H-indol-3-yl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
Also Known As: (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate, methyl (2S)-2-[((2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoyl)amino]-3-(1H-indol-3-yl)propanoate, methyl (2S)-2-[(2S,3S)-2-{[(benzyloxy)carbonyl]amino}-3-methylpentanamido]-3-(1H-indol-3-yl)propanoate, Methyl 3-(1H-indol-3-yl)-2-[(3-methyl-2-phenylmethoxycarbonylamino-pentanoyl)amino]propanoate, methyl 3-(1H-indol-3-yl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
| Molecular Formula | C26H31N3O5 |
|---|---|
| Molecular Weight | 465.23 g/mol |
| LogP | 3.7093 |
| Topological Polar Surface Area | 109.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 465.22638 |
| Heavy Atoms | 34 |
| Complexity | 1111.8363 |
Chemical Identifiers
| CAS Number | 68762-05-0 |
|---|---|
| SMILES | CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC)NC(=O)OCC3=CC=CC=C3 |
Product Overview
(S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate (CAS 68762-05-0), with molecular formula C26H31N3O5 and molecular weight 465.23 g/mol. IUPAC: methyl 3-(1H-indol-3-yl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate.
Chemical Property Profile of (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate
Property Insights of (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate
The XLogP value of 3.7093 indicates that (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate has 3 hydrogen bond donor(s) and 5 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 (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate?
The CAS number of (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate is 68762-05-0.
What is the molecular formula of (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate?
The molecular formula of (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate is C26H31N3O5.
What is the molecular weight of (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate?
The molecular weight of (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate is 465.23 g/mol.
Where can I buy (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate?
You can request a quote for (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.