![tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate structure](/static/products/454/454714-30-8.png)
tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate
TL;DR: tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate (CAS 454714-30-8) is a chemical compound with molecular formula C18H20ClNO2 and molecular weight 317.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate
Also Known As: N-Boc-1-chloromethyl-1,2-dihydro-3H-benzo[e]indole, 1-(Chloromethyl)-1,2-dihydro, tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate, tert-butyl 1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate, N-[(5-bromopyridin-2-yl)diazenyl]-4-nitroaniline
| Molecular Formula | C18H20ClNO2 |
|---|---|
| Molecular Weight | 317.12 g/mol |
| LogP | 4.9173 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.11826 |
| Heavy Atoms | 22 |
| Complexity | 720.58923 |
Chemical Identifiers
| CAS Number | 454714-30-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC(C2=C1C=CC3=CC=CC=C32)CCl |
Product Overview
tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate (CAS 454714-30-8), with molecular formula C18H20ClNO2 and molecular weight 317.12 g/mol. IUPAC: tert-butyl 1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate.
Chemical Property Profile of tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate
Property Insights of tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate
The XLogP value of 4.9173 indicates that tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate has 0 hydrogen bond donor(s) and 2 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 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate?
The CAS number of tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate is 454714-30-8.
What is the molecular formula of tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate?
The molecular formula of tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate is C18H20ClNO2.
What is the molecular weight of tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate?
The molecular weight of tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate is 317.12 g/mol.
Where can I buy tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate?
You can request a quote for tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-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 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 1-(Chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.