methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate
TL;DR: methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate (CAS 358723-68-9) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate
Also Known As: methyl 2-(1-methyl-3-phenyl-2-propenylidene)-1-hydrazinecarboxylate, methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate, methyl N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 2.4317 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 396.7396 |
Chemical Identifiers
| CAS Number | 358723-68-9 |
|---|---|
| SMILES | CC(=NNC(=O)OC)C=CC1=CC=CC=C1 |
Product Overview
methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate (CAS 358723-68-9), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate.
Chemical Property Profile of methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate
Property Insights of methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate
The XLogP value of 2.4317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate. With a topological polar surface area (TPSA) of 50.69 Ų, methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(4-phenylbut-3-en-2-ylideneamino)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 methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate?
The CAS number of methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate is 358723-68-9.
What is the molecular formula of methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate?
The molecular formula of methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate is C12H14N2O2.
What is the molecular weight of methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate?
The molecular weight of methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate is 218.11 g/mol.
Where can I buy methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate?
You can request a quote for methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.