methyl N-(1H-indol-3-ylmethylideneamino)carbamate
TL;DR: methyl N-(1H-indol-3-ylmethylideneamino)carbamate (CAS 88692-99-3) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1H-indol-3-ylmethylideneamino)carbamate
Also Known As: methyl 2-(1H-indol-3-ylmethylene)hydrazinecarboxylate, methyl N-[[(Z)-indol-3-ylidenemethyl]amino]carbamate
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 88692-99-3 |
|---|---|
| SMILES | COC(=O)NN=CC1=CNC2=CC=CC=C21 |
| InChIKey | HJTGOKSDGKNLEY-UHFFFAOYSA-N |
Product Overview
methyl N-(1H-indol-3-ylmethylideneamino)carbamate (CAS 88692-99-3), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: methyl N-(1H-indol-3-ylmethylideneamino)carbamate.
Chemical Property Profile of methyl N-(1H-indol-3-ylmethylideneamino)carbamate
Property Insights of methyl N-(1H-indol-3-ylmethylideneamino)carbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(1H-indol-3-ylmethylideneamino)carbamate. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(1H-indol-3-ylmethylideneamino)carbamate. Following Lipinski's Rule of Five, methyl N-(1H-indol-3-ylmethylideneamino)carbamate has 2 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-(1H-indol-3-ylmethylideneamino)carbamate?
The CAS number of methyl N-(1H-indol-3-ylmethylideneamino)carbamate is 88692-99-3.
What is the molecular formula of methyl N-(1H-indol-3-ylmethylideneamino)carbamate?
The molecular formula of methyl N-(1H-indol-3-ylmethylideneamino)carbamate is C11H11N3O2.
What is the molecular weight of methyl N-(1H-indol-3-ylmethylideneamino)carbamate?
The molecular weight of methyl N-(1H-indol-3-ylmethylideneamino)carbamate is 217.09 g/mol.
Where can I buy methyl N-(1H-indol-3-ylmethylideneamino)carbamate?
You can request a quote for methyl N-(1H-indol-3-ylmethylideneamino)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-(1H-indol-3-ylmethylideneamino)carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(1H-indol-3-ylmethylideneamino)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.