瑞格列奈
TL;DR: 瑞格列奈 (CAS 135062-02-1) is a chemical compound with molecular formula C27H36N2O4 and molecular weight 452.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
瑞格列奈
2-ethoxy-4-[2-[[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid
Also Known As: Repaglinide, Repaglinid, Repaglinide-ethyl-d5, Repaglinide, (-)-, Repaglinide Impurity 53
| Molecular Formula | C27H36N2O4 |
|---|---|
| Molecular Weight | 452.27 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 452.26752 |
| Heavy Atoms | 33 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 135062-02-1 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O |
| InChIKey | FAEKWTJYAYMJKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
瑞格列奈 (CAS 135062-02-1), with molecular formula C27H36N2O4 and molecular weight 452.27 g/mol. IUPAC: 2-ethoxy-4-[2-[[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid.
Chemical Property Profile of 瑞格列奈
Property Insights of 瑞格列奈
The XLogP value of 5.2 indicates that 瑞格列奈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 瑞格列奈. Following Lipinski's Rule of Five, 瑞格列奈 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 瑞格列奈?
The CAS number of 瑞格列奈 is 135062-02-1.
What is the molecular formula of 瑞格列奈?
The molecular formula of 瑞格列奈 is C27H36N2O4.
What is the molecular weight of 瑞格列奈?
The molecular weight of 瑞格列奈 is 452.27 g/mol.
Where can I buy 瑞格列奈?
You can request a quote for 瑞格列奈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 瑞格列奈?
Yes, KEHONG BIO provides custom synthesis services for 瑞格列奈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.