Amicoumacin B
TL;DR: Amicoumacin B (CAS 77674-99-8) is a chemical compound with molecular formula C20H28N2O8 and molecular weight 424.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoic acid
Also Known As: Amicoumacin B, AI 77B, 3-amino-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoic acid, 3-amino-4,5-dihydroxy-5-[[1-(8-hydroxy-1-oxo-isochroman-3-yl)-3-methyl -butyl]carbamoyl]pentanoic acid, 3-amino-4,5-dihydroxy-5-[[1- -3-methyl-butyl]carbamoyl]pentanoicacid
| Molecular Formula | C20H28N2O8 |
|---|---|
| Molecular Weight | 424.18 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 424.18457 |
| Heavy Atoms | 30 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 77674-99-8 |
|---|---|
| SMILES | CC(C)CC(C1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)C(C(C(CC(=O)O)N)O)O |
| InChIKey | LOXFXXGTOVWWQV-UHFFFAOYSA-N |
Product Overview
Amicoumacin B (CAS 77674-99-8), with molecular formula C20H28N2O8 and molecular weight 424.18 g/mol. IUPAC: 3-amino-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoic acid.
Chemical Property Profile of Amicoumacin B
Property Insights of Amicoumacin B
The XLogP value of -1.8 indicates that Amicoumacin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 179.0 Ų indicates high polarity, suggesting Amicoumacin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amicoumacin B has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amicoumacin B?
The CAS number of Amicoumacin B is 77674-99-8.
What is the molecular formula of Amicoumacin B?
The molecular formula of Amicoumacin B is C20H28N2O8.
What is the molecular weight of Amicoumacin B?
The molecular weight of Amicoumacin B is 424.18 g/mol.
Where can I buy Amicoumacin B?
You can request a quote for Amicoumacin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amicoumacin B?
Yes, KEHONG BIO provides custom synthesis services for Amicoumacin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.