(S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid
TL;DR: (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid (CAS 79839-29-5) is a chemical compound with molecular formula C13H22N2O5 and molecular weight 286.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]acetic acid
Also Known As: Boc-(3S)-3-amino-1-carboxymethylcaprolactame, (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid, (3S)-BOC-3-AMINO-1-CARBOXYMETHYL-CAPROLACTAME, -3- -2-OXO-1-AZEPINE-ACETICACID, J1.205.740G
| Molecular Formula | C13H22N2O5 |
|---|---|
| Molecular Weight | 286.15 g/mol |
| LogP | 0.9768 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.15286 |
| Heavy Atoms | 20 |
| Complexity | 388.71298 |
Chemical Identifiers
| CAS Number | 79839-29-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@H]1CCCCN(C1=O)CC(=O)O |
Product Overview
(S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid (CAS 79839-29-5), with molecular formula C13H22N2O5 and molecular weight 286.15 g/mol. IUPAC: 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]acetic acid.
Chemical Property Profile of (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid
Property Insights of (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid
The XLogP value of 0.9768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid. Following Lipinski's Rule of Five, (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid has 2 hydrogen bond donor(s) and 4 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)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid?
The CAS number of (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid is 79839-29-5.
What is the molecular formula of (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid?
The molecular formula of (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid is C13H22N2O5.
What is the molecular weight of (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid?
The molecular weight of (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid is 286.15 g/mol.
Where can I buy (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid?
You can request a quote for (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.