2-氨基-6-溴-4-(1-氰基-2-乙氧基-2-氧代乙基)-4H-色烯-3-甲酸乙酯
TL;DR: 2-氨基-6-溴-4-(1-氰基-2-乙氧基-2-氧代乙基)-4H-色烯-3-甲酸乙酯 (CAS 65673-63-4) is a chemical compound with molecular formula C17H17BrN2O5 and molecular weight 408.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氨基-6-溴-4-(1-氰基-2-乙氧基-2-氧代乙基)-4H-色烯-3-甲酸乙酯
ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate
Also Known As: ha14-1, Valdetamide, Maybridge1_000786, Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate, HA 14-1
| Molecular Formula | C17H17BrN2O5 |
|---|---|
| Molecular Weight | 408.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.03207 |
| Heavy Atoms | 25 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 65673-63-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C(C#N)C(=O)OCC)C=C(C=C2)Br)N |
| InChIKey | SXJDCULZDFWMJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氨基-6-溴-4-(1-氰基-2-乙氧基-2-氧代乙基)-4H-色烯-3-甲酸乙酯 (CAS 65673-63-4), with molecular formula C17H17BrN2O5 and molecular weight 408.03 g/mol. IUPAC: ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate.
Chemical Property Profile of 2-氨基-6-溴-4-(1-氰基-2-乙氧基-2-氧代乙基)-4H-色烯-3-甲酸乙酯
Property Insights of 2-氨基-6-溴-4-(1-氰基-2-乙氧基-2-氧代乙基)-4H-色烯-3-甲酸乙酯
The XLogP value of 3.0 indicates that Ha14-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氨基-6-溴-4-(1-氰基-2-乙氧基-2-氧代乙基)-4H-色烯-3-甲酸乙酯. Following Lipinski's Rule of Five, Ha14-1 has 1 hydrogen bond donor(s) and 7 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 Ha14-1?
The CAS number of Ha14-1 is 65673-63-4.
What is the molecular formula of Ha14-1?
The molecular formula of Ha14-1 is C17H17BrN2O5.
What is the molecular weight of Ha14-1?
The molecular weight of Ha14-1 is 408.03 g/mol.
Where can I buy Ha14-1?
You can request a quote for Ha14-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ha14-1?
Yes, KEHONG BIO provides custom synthesis services for Ha14-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.