1-Boc-2-Chloro-3-formyl-indole
TL;DR: 1-Boc-2-Chloro-3-formyl-indole (CAS 180922-71-8) is a chemical compound with molecular formula C14H14ClNO3 and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-chloro-3-formylindole-1-carboxylate
Also Known As: 1-Boc-2-Chloro-3-formyl-indole, tert-Butyl 2-chloro-3-formyl-1H-indole-1-carboxylate, tert-butyl 2-chloro-3-formylindole-1-carboxylate, 1-Boc-2-chloro-3-indolecarbaldehyde, J1.586.565B
| Molecular Formula | C14H14ClNO3 |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.06622 |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 180922-71-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Cl)C=O |
| InChIKey | FXGYYINAPYFDDP-UHFFFAOYSA-N |
Product Overview
1-Boc-2-Chloro-3-formyl-indole (CAS 180922-71-8), with molecular formula C14H14ClNO3 and molecular weight 279.07 g/mol. IUPAC: tert-butyl 2-chloro-3-formylindole-1-carboxylate.
Chemical Property Profile of 1-Boc-2-Chloro-3-formyl-indole
Property Insights of 1-Boc-2-Chloro-3-formyl-indole
The XLogP value of 3.7 indicates that 1-Boc-2-Chloro-3-formyl-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, 1-Boc-2-Chloro-3-formyl-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Boc-2-Chloro-3-formyl-indole 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
Frequently Asked Questions
What is the CAS number of 1-Boc-2-Chloro-3-formyl-indole?
The CAS number of 1-Boc-2-Chloro-3-formyl-indole is 180922-71-8.
What is the molecular formula of 1-Boc-2-Chloro-3-formyl-indole?
The molecular formula of 1-Boc-2-Chloro-3-formyl-indole is C14H14ClNO3.
What is the molecular weight of 1-Boc-2-Chloro-3-formyl-indole?
The molecular weight of 1-Boc-2-Chloro-3-formyl-indole is 279.07 g/mol.
Where can I buy 1-Boc-2-Chloro-3-formyl-indole?
You can request a quote for 1-Boc-2-Chloro-3-formyl-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Boc-2-Chloro-3-formyl-indole?
Yes, KEHONG BIO provides custom synthesis services for 1-Boc-2-Chloro-3-formyl-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.