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benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate
TL;DR: benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate (CAS 113906-00-6) is a chemical compound with molecular formula C14H15N3O2 and molecular weight 257.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate
Also Known As: benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate, Benzyl 2-((1-methylpyrrol-2-yl)methylene)hydrazinecarboxylate, Carbazic acid, 2-((1-methylpyrrol-2-yl)methylene)-, benzyl ester, Hydrazinecarboxylicacid, 2-[(1-methyl-1H-pyrrol-2-yl)methylene]-, phenylmethyl ester, Hydrazinecarboxylic acid, ((1-methyl-1H-pyrrol-2-yl)methylene)-, phenylmethyl ester
| Molecular Formula | C14H15N3O2 |
|---|---|
| Molecular Weight | 257.12 g/mol |
| LogP | 2.2854 |
| Topological Polar Surface Area | 55.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.11642 |
| Heavy Atoms | 19 |
| Complexity | 561.0799 |
Chemical Identifiers
| CAS Number | 113906-00-6 |
|---|---|
| SMILES | CN1C=CC=C1C=NNC(=O)OCC2=CC=CC=C2 |
Product Overview
benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate (CAS 113906-00-6), with molecular formula C14H15N3O2 and molecular weight 257.12 g/mol. IUPAC: benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate.
Chemical Property Profile of benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate
Property Insights of benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate
The XLogP value of 2.2854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate. With a topological polar surface area (TPSA) of 55.62 Ų, benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]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 benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate?
The CAS number of benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate is 113906-00-6.
What is the molecular formula of benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate?
The molecular formula of benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate is C14H15N3O2.
What is the molecular weight of benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate?
The molecular weight of benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate is 257.12 g/mol.
Where can I buy benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate?
You can request a quote for benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.