Methyl N-(tert-butoxycarbonyl)glycylmethioninate
TL;DR: Methyl N-(tert-butoxycarbonyl)glycylmethioninate (CAS 31008-33-0) is a chemical compound with molecular formula C13H24N2O5S and molecular weight 320.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-methylsulfanylbutanoate
Also Known As: Methyl N-(tert-butoxycarbonyl)glycylmethioninate, methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-methylsulfanylbutanoate, methyl 2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)-4-(methylsulfanyl)butanoate, methyl 4-methylsulfanyl-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]butanoate
| Molecular Formula | C13H24N2O5S |
|---|---|
| Molecular Weight | 320.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 320.1406 |
| Heavy Atoms | 21 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 31008-33-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCC(=O)NC(CCSC)C(=O)OC |
| InChIKey | ADNDMWJTOZXKCQ-UHFFFAOYSA-N |
Product Overview
Methyl N-(tert-butoxycarbonyl)glycylmethioninate (CAS 31008-33-0), with molecular formula C13H24N2O5S and molecular weight 320.14 g/mol. IUPAC: methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-methylsulfanylbutanoate.
Chemical Property Profile of Methyl N-(tert-butoxycarbonyl)glycylmethioninate
Property Insights of Methyl N-(tert-butoxycarbonyl)glycylmethioninate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(tert-butoxycarbonyl)glycylmethioninate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(tert-butoxycarbonyl)glycylmethioninate. Following Lipinski's Rule of Five, Methyl N-(tert-butoxycarbonyl)glycylmethioninate has 2 hydrogen bond donor(s) and 6 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 Methyl N-(tert-butoxycarbonyl)glycylmethioninate?
The CAS number of Methyl N-(tert-butoxycarbonyl)glycylmethioninate is 31008-33-0.
What is the molecular formula of Methyl N-(tert-butoxycarbonyl)glycylmethioninate?
The molecular formula of Methyl N-(tert-butoxycarbonyl)glycylmethioninate is C13H24N2O5S.
What is the molecular weight of Methyl N-(tert-butoxycarbonyl)glycylmethioninate?
The molecular weight of Methyl N-(tert-butoxycarbonyl)glycylmethioninate is 320.14 g/mol.
Where can I buy Methyl N-(tert-butoxycarbonyl)glycylmethioninate?
You can request a quote for Methyl N-(tert-butoxycarbonyl)glycylmethioninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(tert-butoxycarbonyl)glycylmethioninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(tert-butoxycarbonyl)glycylmethioninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.