A3777/0160304
TL;DR: A3777/0160304 (CAS 159187-30-1) is a chemical compound with molecular formula C21H29BrN2O4 and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-1-butyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)indole-3-carboxylate
Also Known As: A3777/0160304, ethyl 6-bromo-1-butyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1H-indole-3-carboxylate, ethyl 6-bromo-1-butyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)indole-3-carboxylate, ETHYL 6-BROMO-1-BUTYL-5-HYDROXY-2-METHYL-4-(MORPHOLINOMETHYL)-1H-INDOLE-3-CARBOXYLATE
| Molecular Formula | C21H29BrN2O4 |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 4.22682 |
| Topological Polar Surface Area | 63.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.13107 |
| Heavy Atoms | 28 |
| Complexity | 856.1881 |
Chemical Identifiers
| CAS Number | 159187-30-1 |
|---|---|
| SMILES | CCCCN1C(=C(C2=C(C(=C(C=C21)Br)O)CN3CCOCC3)C(=O)OCC)C |
Product Overview
A3777/0160304 (CAS 159187-30-1), with molecular formula C21H29BrN2O4 and molecular weight 452.13 g/mol. IUPAC: ethyl 6-bromo-1-butyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)indole-3-carboxylate.
Chemical Property Profile of A3777/0160304
Property Insights of A3777/0160304
The XLogP value of 4.22682 indicates that A3777/0160304 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.93 Ų falls within the moderate polarity range, balancing permeability and solubility for A3777/0160304. Following Lipinski's Rule of Five, A3777/0160304 has 1 hydrogen bond donor(s) and 5 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 A3777/0160304?
The CAS number of A3777/0160304 is 159187-30-1.
What is the molecular formula of A3777/0160304?
The molecular formula of A3777/0160304 is C21H29BrN2O4.
What is the molecular weight of A3777/0160304?
The molecular weight of A3777/0160304 is 452.13 g/mol.
Where can I buy A3777/0160304?
You can request a quote for A3777/0160304 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3777/0160304?
Yes, KEHONG BIO provides custom synthesis services for A3777/0160304 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.