methyl N-tert-butylmethanimidate
TL;DR: methyl N-tert-butylmethanimidate (CAS 49680-36-6) is a chemical compound with molecular formula C6H13NO and molecular weight 115.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-tert-butylmethanimidate
Also Known As: methyl N-tert-butylmethanimidate, o-Methyl N-t-butylformimidate, Methyl tert-butylmethanimidate, O-Methyl N-tert-butylformimidate, O-Methyl-N-tert.-butylformimidat
| Molecular Formula | C6H13NO |
|---|---|
| Molecular Weight | 115.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.09972 |
| Heavy Atoms | 8 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 49680-36-6 |
|---|---|
| SMILES | CC(C)(C)N=COC |
| InChIKey | IICMIFSPEZEZMS-UHFFFAOYSA-N |
Product Overview
methyl N-tert-butylmethanimidate (CAS 49680-36-6), with molecular formula C6H13NO and molecular weight 115.10 g/mol. IUPAC: methyl N-tert-butylmethanimidate.
Chemical Property Profile of methyl N-tert-butylmethanimidate
Property Insights of methyl N-tert-butylmethanimidate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-tert-butylmethanimidate. With a topological polar surface area (TPSA) of 21.6 Ų, methyl N-tert-butylmethanimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-tert-butylmethanimidate has 0 hydrogen bond donor(s) and 2 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-butylmethanimidate?
The CAS number of methyl N-tert-butylmethanimidate is 49680-36-6.
What is the molecular formula of methyl N-tert-butylmethanimidate?
The molecular formula of methyl N-tert-butylmethanimidate is C6H13NO.
What is the molecular weight of methyl N-tert-butylmethanimidate?
The molecular weight of methyl N-tert-butylmethanimidate is 115.10 g/mol.
Where can I buy methyl N-tert-butylmethanimidate?
You can request a quote for methyl N-tert-butylmethanimidate 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-butylmethanimidate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-tert-butylmethanimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.