(pentan-2-ylideneamino) N-methylcarbamate
TL;DR: (pentan-2-ylideneamino) N-methylcarbamate (CAS 85559-91-7) is a chemical compound with molecular formula C7H14N2O2 and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(pentan-2-ylideneamino) N-methylcarbamate
Also Known As: (pentan-2-ylideneamino) N-methylcarbamate, 2-Pentanone, O-((methylamino)carbonyl)oxime
| Molecular Formula | C7H14N2O2 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.10553 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 85559-91-7 |
|---|---|
| SMILES | CCCC(=NOC(=O)NC)C |
| InChIKey | ODAHZMNCMKSDDJ-UHFFFAOYSA-N |
Product Overview
(pentan-2-ylideneamino) N-methylcarbamate (CAS 85559-91-7), with molecular formula C7H14N2O2 and molecular weight 158.11 g/mol. IUPAC: (pentan-2-ylideneamino) N-methylcarbamate.
Chemical Property Profile of (pentan-2-ylideneamino) N-methylcarbamate
Property Insights of (pentan-2-ylideneamino) N-methylcarbamate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (pentan-2-ylideneamino) N-methylcarbamate. With a topological polar surface area (TPSA) of 50.7 Ų, (pentan-2-ylideneamino) N-methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (pentan-2-ylideneamino) N-methylcarbamate 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 (pentan-2-ylideneamino) N-methylcarbamate?
The CAS number of (pentan-2-ylideneamino) N-methylcarbamate is 85559-91-7.
What is the molecular formula of (pentan-2-ylideneamino) N-methylcarbamate?
The molecular formula of (pentan-2-ylideneamino) N-methylcarbamate is C7H14N2O2.
What is the molecular weight of (pentan-2-ylideneamino) N-methylcarbamate?
The molecular weight of (pentan-2-ylideneamino) N-methylcarbamate is 158.11 g/mol.
Where can I buy (pentan-2-ylideneamino) N-methylcarbamate?
You can request a quote for (pentan-2-ylideneamino) N-methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (pentan-2-ylideneamino) N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (pentan-2-ylideneamino) N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.