Xenocoumacin 1
TL;DR: Xenocoumacin 1 (CAS 115722-26-4) is a chemical compound with molecular formula C22H35N5O6 and molecular weight 465.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-7-(diaminomethylideneamino)-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]heptanamide
Also Known As: Xenocoumacin 1, xenocoumacin I, 4-amino-7-(diaminomethylideneamino)-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]heptanamide, 4-Amino-7-((aminoiminomethyl)amino)-4,5,6,7-tetradeoxy-N-(1-(3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl)heptonamide, 4-amino-7-[(diaminomethylidene)amino]-2,3-dihydroxy-n-[1-(8-hydroxy-1-oxo-3,4-dihydro-1h-isochromen-3-yl)-3-methylbutyl]heptanamide(non-preferred name)
| Molecular Formula | C22H35N5O6 |
|---|---|
| Molecular Weight | 465.26 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 465.25873 |
| Heavy Atoms | 33 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 115722-26-4 |
|---|---|
| SMILES | CC(C)CC(C1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)C(C(C(CCCN=C(N)N)N)O)O |
| InChIKey | KJPBPENONKNTAB-UHFFFAOYSA-N |
Product Overview
Xenocoumacin 1 (CAS 115722-26-4), with molecular formula C22H35N5O6 and molecular weight 465.26 g/mol. IUPAC: 4-amino-7-(diaminomethylideneamino)-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]heptanamide.
Chemical Property Profile of Xenocoumacin 1
Property Insights of Xenocoumacin 1
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xenocoumacin 1. The TPSA of 207.0 Ų indicates high polarity, suggesting Xenocoumacin 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Xenocoumacin 1 has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Xenocoumacin 1?
The CAS number of Xenocoumacin 1 is 115722-26-4.
What is the molecular formula of Xenocoumacin 1?
The molecular formula of Xenocoumacin 1 is C22H35N5O6.
What is the molecular weight of Xenocoumacin 1?
The molecular weight of Xenocoumacin 1 is 465.26 g/mol.
Where can I buy Xenocoumacin 1?
You can request a quote for Xenocoumacin 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xenocoumacin 1?
Yes, KEHONG BIO provides custom synthesis services for Xenocoumacin 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.