tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 100066-79-3) is a chemical compound with molecular formula C18H24N2O2 and molecular weight 300.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-amino-1-benzyl-4,5-dimethylpyrrole-3-carboxylate
Also Known As: 1-Benzyl-2-amino-3-tert-butoxycarbonyl-4,5-dimethylpyrrole, tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate, tert-butyl 2-amino-1-benzyl-4,5-dimethylpyrrole-3-carboxylate, 1-benzyl-2-amino-3-BOC-4,5-dimethylpyrrole, 1-benzyl-2-amino-3-t-butoxycarbonyl-4,5-dimethylpyrrole
| Molecular Formula | C18H24N2O2 |
|---|---|
| Molecular Weight | 300.18 g/mol |
| LogP | 3.69074 |
| Topological Polar Surface Area | 57.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.18378 |
| Heavy Atoms | 22 |
| Complexity | 679.3481 |
Chemical Identifiers
| CAS Number | 100066-79-3 |
|---|---|
| SMILES | CC1=C(N(C(=C1C(=O)OC(C)(C)C)N)CC2=CC=CC=C2)C |
Product Overview
tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 100066-79-3), with molecular formula C18H24N2O2 and molecular weight 300.18 g/mol. IUPAC: tert-butyl 2-amino-1-benzyl-4,5-dimethylpyrrole-3-carboxylate.
Chemical Property Profile of tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 3.69074 indicates that tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.25 Ų, tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate 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 tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate is 100066-79-3.
What is the molecular formula of tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate is C18H24N2O2.
What is the molecular weight of tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate is 300.18 g/mol.
Where can I buy tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.