![tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate structure](/static/products/122/122745-40-8.png)
tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate
TL;DR: tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate (CAS 122745-40-8) is a chemical compound with molecular formula C25H26ClNO3 and molecular weight 423.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate
Also Known As: tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1,2-dihydro-3H-benzo[e]indole-3-carboxylate, tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate, tert-butyl 1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate, tert-butyl 5-(benzyloxy)-1-(chloromethyl)-1H,2H,3H-benzo[e]indole-3-carboxylate, tert-butyl 5-benzyloxy-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate
| Molecular Formula | C25H26ClNO3 |
|---|---|
| Molecular Weight | 423.16 g/mol |
| LogP | 6.4963 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.16013 |
| Heavy Atoms | 30 |
| Complexity | 1059.172 |
Chemical Identifiers
| CAS Number | 122745-40-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC(C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4)CCl |
Product Overview
tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate (CAS 122745-40-8), with molecular formula C25H26ClNO3 and molecular weight 423.16 g/mol. IUPAC: tert-butyl 1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate.
Chemical Property Profile of tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate
Property Insights of tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate
The XLogP value of 6.4963 indicates that tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate?
The CAS number of tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate is 122745-40-8.
What is the molecular formula of tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate?
The molecular formula of tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate is C25H26ClNO3.
What is the molecular weight of tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate?
The molecular weight of tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate is 423.16 g/mol.
Where can I buy tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate?
You can request a quote for tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-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 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 5-(benzyloxy)-1-(chloromethyl)-1H-benzo[e]indole-3(2H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.