(S)-4-tert-Butyl 1-methyl 2-aminosuccinate
TL;DR: (S)-4-tert-Butyl 1-methyl 2-aminosuccinate (CAS 39895-10-8) is a chemical compound with molecular formula C9H17NO4 and molecular weight 203.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-tert-butyl 1-O-methyl (2S)-2-aminobutanedioate
Also Known As: H-ASP(OMe)-OTBU, H-Asp(OtBu)OMe, H-Asp(OtBu)-OMe, (S)-4-tert-Butyl 1-methyl 2-aminosuccinate, 4-TERT-BUTYL 1-METHYL (2S)-2-AMINOBUTANEDIOATE
| Molecular Formula | C9H17NO4 |
|---|---|
| Molecular Weight | 203.12 g/mol |
| LogP | 0.2185 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.11575 |
| Heavy Atoms | 14 |
| Complexity | 219.34207 |
Chemical Identifiers
| CAS Number | 39895-10-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C[C@@H](C(=O)OC)N |
Product Overview
(S)-4-tert-Butyl 1-methyl 2-aminosuccinate (CAS 39895-10-8), with molecular formula C9H17NO4 and molecular weight 203.12 g/mol. IUPAC: 4-O-tert-butyl 1-O-methyl (2S)-2-aminobutanedioate.
Chemical Property Profile of (S)-4-tert-Butyl 1-methyl 2-aminosuccinate
Property Insights of (S)-4-tert-Butyl 1-methyl 2-aminosuccinate
The XLogP value of 0.2185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-4-tert-Butyl 1-methyl 2-aminosuccinate. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-tert-Butyl 1-methyl 2-aminosuccinate. Following Lipinski's Rule of Five, (S)-4-tert-Butyl 1-methyl 2-aminosuccinate has 1 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)-4-tert-Butyl 1-methyl 2-aminosuccinate?
The CAS number of (S)-4-tert-Butyl 1-methyl 2-aminosuccinate is 39895-10-8.
What is the molecular formula of (S)-4-tert-Butyl 1-methyl 2-aminosuccinate?
The molecular formula of (S)-4-tert-Butyl 1-methyl 2-aminosuccinate is C9H17NO4.
What is the molecular weight of (S)-4-tert-Butyl 1-methyl 2-aminosuccinate?
The molecular weight of (S)-4-tert-Butyl 1-methyl 2-aminosuccinate is 203.12 g/mol.
Where can I buy (S)-4-tert-Butyl 1-methyl 2-aminosuccinate?
You can request a quote for (S)-4-tert-Butyl 1-methyl 2-aminosuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-tert-Butyl 1-methyl 2-aminosuccinate?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-tert-Butyl 1-methyl 2-aminosuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.