tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate
TL;DR: tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate (CAS 161282-57-1) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 2-formylpyrrole-1-carboxylate
Also Known As: TERT-BUTYL 2-FORMYL-1H-PYRROLE-1-CARBOXYLATE, N-Boc-pyrrole-2-carboxaldehyde, Tert-butyl 2-formylpyrrole-1-carboxylate, 1-Boc-pyrrole-2-carboxaldehyde, N-Boc-pyrrole-2-carbaldehyde
Technical Specifications
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.08954 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.08954 Da |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
| SMILES | CC(C)(C)OC(=O)N1C=CC=C1C=O |
| InChIKey | NSHLHMBABZKJHP-UHFFFAOYSA-N |
Chemical Property Profile of tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate
Property Insights of tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate. With a topological polar surface area (TPSA) of 48.3 Ų, tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate 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
What is the CAS number of tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate?
The CAS number of tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate is 161282-57-1.
What is the molecular formula of tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate?
The molecular formula of tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate is C10H13NO3.
What is the molecular weight of tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate?
The molecular weight of tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate is 195.08954 g/mol.
Where can I buy tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate?
You can request a quote for tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for tert-Butyl 2-formyl-1H-pyrrole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.