依克多因
TL;DR: 依克多因 (CAS 96702-03-3) is a chemical compound with molecular formula C6H10N2O2 and molecular weight 142.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依克多因
2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
Also Known As: ectoine, ectoin, Thp(B), 2-Methyl-4-carboxy-3,4,5,6-tetrahydropyrimidine, KST-1A9343
| Molecular Formula | C6H10N2O2 |
|---|---|
| Molecular Weight | 142.07 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.07423 |
| Heavy Atoms | 10 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 96702-03-3 |
|---|---|
| SMILES | CC1=NCCC(N1)C(=O)O |
| InChIKey | WQXNXVUDBPYKBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依克多因 (CAS 96702-03-3), with molecular formula C6H10N2O2 and molecular weight 142.07 g/mol. IUPAC: 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid.
Chemical Property Profile of 依克多因
Property Insights of 依克多因
The XLogP value of -0.8 indicates that 依克多因 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 依克多因. Following Lipinski's Rule of Five, 依克多因 has 2 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 依克多因?
The CAS number of 依克多因 is 96702-03-3.
What is the molecular formula of 依克多因?
The molecular formula of 依克多因 is C6H10N2O2.
What is the molecular weight of 依克多因?
The molecular weight of 依克多因 is 142.07 g/mol.
Where can I buy 依克多因?
You can request a quote for 依克多因 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依克多因?
Yes, KEHONG BIO provides custom synthesis services for 依克多因 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.