TimTec1_005864
TL;DR: TimTec1_005864 (CAS 313702-54-4) is a chemical compound with molecular formula C18H23BrN2O3 and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-methoxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
Also Known As: TimTec1_005864, BAS 01511649, A2438/0103333, ethyl 6-bromo-5-methoxy-1-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate, ETHYL 6-BROMO-5-METHOXY-1-METHYL-2-(1-PYRROLIDINYLMETHYL)-1H-INDOLE-3-CARBOXYLATE
| Molecular Formula | C18H23BrN2O3 |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 3.7219 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.0892 |
| Heavy Atoms | 24 |
| Complexity | 763.445 |
Chemical Identifiers
| CAS Number | 313702-54-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CCCC3 |
Product Overview
TimTec1_005864 (CAS 313702-54-4), with molecular formula C18H23BrN2O3 and molecular weight 394.09 g/mol. IUPAC: ethyl 6-bromo-5-methoxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate.
Chemical Property Profile of TimTec1_005864
Property Insights of TimTec1_005864
The XLogP value of 3.7219 indicates that TimTec1_005864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, TimTec1_005864 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_005864 has 0 hydrogen bond donor(s) and 4 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 TimTec1_005864?
The CAS number of TimTec1_005864 is 313702-54-4.
What is the molecular formula of TimTec1_005864?
The molecular formula of TimTec1_005864 is C18H23BrN2O3.
What is the molecular weight of TimTec1_005864?
The molecular weight of TimTec1_005864 is 394.09 g/mol.
Where can I buy TimTec1_005864?
You can request a quote for TimTec1_005864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005864?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.