1-Boc-4-bromomethylindole
TL;DR: 1-Boc-4-bromomethylindole (CAS 2205-90-5) is a chemical compound with molecular formula C22H32O3 and molecular weight 344.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3S,5R,8S,11R,12S,15S,16S)-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadecanyl] acetate
Also Known As: 1-Boc-4-bromomethylindole, KST-1A2799, (1s,3as,3br,5as,7ar,8as,8bs,8cs,10as)-8b,10a-dimethyl-7-oxooctadecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate, (1s,3as,3br,5as,7ar,8as,8bs,8cs,10as)-8b,10a-dimethyl-7-oxoo
| Molecular Formula | C22H32O3 |
|---|---|
| Molecular Weight | 344.24 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.23514 |
| Heavy Atoms | 25 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 2205-90-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3([C@H]5C[C@H]5C(=O)C4)C)C |
| InChIKey | UFAXZINNTFGWKA-OYXRIRFLSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Boc-4-bromomethylindole (CAS 2205-90-5), with molecular formula C22H32O3 and molecular weight 344.24 g/mol. IUPAC: [(1S,2S,3S,5R,8S,11R,12S,15S,16S)-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadecanyl] acetate.
Chemical Property Profile of 1-Boc-4-bromomethylindole
Property Insights of 1-Boc-4-bromomethylindole
The XLogP value of 4.4 indicates that 1-Boc-4-bromomethylindole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 1-Boc-4-bromomethylindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Boc-4-bromomethylindole 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-4-bromomethylindole?
The CAS number of 1-Boc-4-bromomethylindole is 2205-90-5.
What is the molecular formula of 1-Boc-4-bromomethylindole?
The molecular formula of 1-Boc-4-bromomethylindole is C22H32O3.
What is the molecular weight of 1-Boc-4-bromomethylindole?
The molecular weight of 1-Boc-4-bromomethylindole is 344.24 g/mol.
Where can I buy 1-Boc-4-bromomethylindole?
You can request a quote for 1-Boc-4-bromomethylindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Boc-4-bromomethylindole?
Yes, KEHONG BIO provides custom synthesis services for 1-Boc-4-bromomethylindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.