(S)-2-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid
TL;DR: (S)-2-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid (CAS 201418-83-9) is a chemical compound with molecular formula C12H23N3O5 and molecular weight 289.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-6-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Also Known As: Boc-L-homocitruline, Boc-Homocit-OH, BOC-HCI-OH, Boc-L-HomoCit-OH, Boc-Hocit-OH
| Molecular Formula | C12H23N3O5 |
|---|---|
| Molecular Weight | 289.16 g/mol |
| LogP | 0.8029 |
| Topological Polar Surface Area | 130.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.16376 |
| Heavy Atoms | 20 |
| Complexity | 351.4922 |
Chemical Identifiers
| CAS Number | 201418-83-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)N)C(=O)O |
Product Overview
(S)-2-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid (CAS 201418-83-9), with molecular formula C12H23N3O5 and molecular weight 289.16 g/mol. IUPAC: (2S)-6-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.
Chemical Property Profile of (S)-2-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid
Property Insights of (S)-2-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid
The XLogP value of 0.8029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid. The TPSA of 130.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid. Following Lipinski's Rule of Five, (S)-2-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid has 4 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-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid?
The CAS number of (S)-2-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid is 201418-83-9.
What is the molecular formula of (S)-2-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid?
The molecular formula of (S)-2-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid is C12H23N3O5.
What is the molecular weight of (S)-2-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid?
The molecular weight of (S)-2-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid is 289.16 g/mol.
Where can I buy (S)-2-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid?
You can request a quote for (S)-2-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic 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-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-((tert-Butoxycarbonyl)amino)-6-ureidohexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.