Xenocoumacin 2
TL;DR: Xenocoumacin 2 (CAS 105688-05-9) is a chemical compound with molecular formula C21H30N2O6 and molecular weight 406.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-3-pyrrolidin-2-ylpropanamide
Also Known As: Xenocoumacin 2, xenocoumacin II, 2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-3-pyrrolidin-2-ylpropanamide, 2-bromo-4,5-dichloro-1-(cyclopropylmethoxymethyl)imidazole, N-(1-(3,4-Dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl)-alpha,beta-dihydroxy-2-pyrrolidinepropanamide
| Molecular Formula | C21H30N2O6 |
|---|---|
| Molecular Weight | 406.21 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.2104 |
| Heavy Atoms | 29 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 105688-05-9 |
|---|---|
| SMILES | CC(C)CC(C1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)C(C(C3CCCN3)O)O |
| InChIKey | GJFFPZMEAWWELD-UHFFFAOYSA-N |
Product Overview
Xenocoumacin 2 (CAS 105688-05-9), with molecular formula C21H30N2O6 and molecular weight 406.21 g/mol. IUPAC: 2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-3-pyrrolidin-2-ylpropanamide.
Chemical Property Profile of Xenocoumacin 2
Property Insights of Xenocoumacin 2
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xenocoumacin 2. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Xenocoumacin 2. Following Lipinski's Rule of Five, Xenocoumacin 2 has 5 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 Xenocoumacin 2?
The CAS number of Xenocoumacin 2 is 105688-05-9.
What is the molecular formula of Xenocoumacin 2?
The molecular formula of Xenocoumacin 2 is C21H30N2O6.
What is the molecular weight of Xenocoumacin 2?
The molecular weight of Xenocoumacin 2 is 406.21 g/mol.
Where can I buy Xenocoumacin 2?
You can request a quote for Xenocoumacin 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xenocoumacin 2?
Yes, KEHONG BIO provides custom synthesis services for Xenocoumacin 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.