tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate
TL;DR: tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate (CAS 959103-12-9) is a chemical compound with molecular formula C13H23NO3 and molecular weight 241.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(E)-2-methyl-6-oxohept-4-en-3-yl]carbamate
Also Known As: tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate, tert-butyl N-[(E)-2-methyl-6-oxohept-4-en-3-yl]carbamate, 3-(E)-Hepten-2-one, (5S)-5-[(t-butoxycarbonyl)amino]-6-methyl-
| Molecular Formula | C13H23NO3 |
|---|---|
| Molecular Weight | 241.17 g/mol |
| LogP | 2.6809 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.1678 |
| Heavy Atoms | 17 |
| Complexity | 300.27667 |
Chemical Identifiers
| CAS Number | 959103-12-9 |
|---|---|
| SMILES | CC(C)C(/C=C/C(=O)C)NC(=O)OC(C)(C)C |
Product Overview
tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate (CAS 959103-12-9), with molecular formula C13H23NO3 and molecular weight 241.17 g/mol. IUPAC: tert-butyl N-[(E)-2-methyl-6-oxohept-4-en-3-yl]carbamate.
Chemical Property Profile of tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate
Property Insights of tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate
The XLogP value of 2.6809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate. With a topological polar surface area (TPSA) of 55.4 Ų, tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate has 1 hydrogen bond donor(s) and 3 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 tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate?
The CAS number of tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate is 959103-12-9.
What is the molecular formula of tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate?
The molecular formula of tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate is C13H23NO3.
What is the molecular weight of tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate?
The molecular weight of tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate is 241.17 g/mol.
Where can I buy tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate?
You can request a quote for tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(2-methyl-6-oxohept-4-en-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.