Methyl 3-(dimethylamino)-2-isocyanoacrylate
TL;DR: Methyl 3-(dimethylamino)-2-isocyanoacrylate (CAS 72130-98-4) is a chemical compound with molecular formula C7H10N2O2 and molecular weight 154.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate
Also Known As: methyl 3-(dimethylamino)-2-isocyanoacrylate, HmUDAJDDj^yIemyjgjAEP, Schoellkopf Isocyanide, Methyl (Z)-3-(dimethylamino)-2-isocyanoacrylate, methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate
| Molecular Formula | C7H10N2O2 |
|---|---|
| Molecular Weight | 154.07 g/mol |
| LogP | 0.48169 |
| Topological Polar Surface Area | 33.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.07423 |
| Heavy Atoms | 11 |
| Complexity | 212.97069 |
Chemical Identifiers
| CAS Number | 72130-98-4 |
|---|---|
| SMILES | CN(C)/C=C(/C(=O)OC)\[N+]#[C-] |
Product Overview
Methyl 3-(dimethylamino)-2-isocyanoacrylate (CAS 72130-98-4), with molecular formula C7H10N2O2 and molecular weight 154.07 g/mol. IUPAC: methyl (Z)-3-(dimethylamino)-2-isocyanoprop-2-enoate.
Chemical Property Profile of Methyl 3-(dimethylamino)-2-isocyanoacrylate
Property Insights of Methyl 3-(dimethylamino)-2-isocyanoacrylate
The XLogP value of 0.48169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(dimethylamino)-2-isocyanoacrylate. With a topological polar surface area (TPSA) of 33.9 Ų, Methyl 3-(dimethylamino)-2-isocyanoacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(dimethylamino)-2-isocyanoacrylate has 0 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 Methyl 3-(dimethylamino)-2-isocyanoacrylate?
The CAS number of Methyl 3-(dimethylamino)-2-isocyanoacrylate is 72130-98-4.
What is the molecular formula of Methyl 3-(dimethylamino)-2-isocyanoacrylate?
The molecular formula of Methyl 3-(dimethylamino)-2-isocyanoacrylate is C7H10N2O2.
What is the molecular weight of Methyl 3-(dimethylamino)-2-isocyanoacrylate?
The molecular weight of Methyl 3-(dimethylamino)-2-isocyanoacrylate is 154.07 g/mol.
Where can I buy Methyl 3-(dimethylamino)-2-isocyanoacrylate?
You can request a quote for Methyl 3-(dimethylamino)-2-isocyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(dimethylamino)-2-isocyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(dimethylamino)-2-isocyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.