S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate
TL;DR: S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate (CAS 104700-38-1) is a chemical compound with molecular formula C14H25NO4 and molecular weight 271.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
Also Known As: S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate
| Molecular Formula | C14H25NO4 |
|---|---|
| Molecular Weight | 271.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 271.17834 |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 104700-38-1 |
|---|---|
| SMILES | CCOC(=O)C=CC(C(C)C)NC(=O)OC(C)(C)C |
| InChIKey | GIXQAQYYXOSOJF-UHFFFAOYSA-N |
Product Overview
S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate (CAS 104700-38-1), with molecular formula C14H25NO4 and molecular weight 271.18 g/mol. IUPAC: ethyl 5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate.
Chemical Property Profile of S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate
Property Insights of S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate. Following Lipinski's Rule of Five, S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate has 1 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-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate?
The CAS number of S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate is 104700-38-1.
What is the molecular formula of S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate?
The molecular formula of S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate is C14H25NO4.
What is the molecular weight of S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate?
The molecular weight of S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate is 271.18 g/mol.
Where can I buy S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate?
You can request a quote for S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for S-Ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.