Herbicolin A
TL;DR: Herbicolin A (CAS 74188-23-1) is a chemical compound with molecular formula C58H101N13O20 and molecular weight 1299.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-[[12-(3-amino-3-oxopropyl)-3-[3-(diaminomethylideneamino)propyl]-6,21-bis(1-hydroxyethyl)-7,25-dimethyl-18-(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-1-oxobut-2-en-2-yl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradecanamide
Also Known As: Herbicolin A, N-[(E)-1-[[12-(3-amino-3-oxopropyl)-3-[3-(diaminomethylideneamino)propyl]-6,21-bis(1-hydroxyethyl)-7,25-dimethyl-18-(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-1-oxobut-2-en-2-yl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradecanamide
| Molecular Formula | C58H101N13O20 |
|---|---|
| Molecular Weight | 1299.73 g/mol |
| LogP | -4.942 |
| Topological Polar Surface Area | 526.74 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 29 |
| Exact Mass | 1299.7286 |
| Heavy Atoms | 91 |
| Complexity | 2463.1792 |
Chemical Identifiers
| CAS Number | 74188-23-1 |
|---|---|
| SMILES | CCCCCCCCCCCC(CC(=O)N/C(=C/C)/C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC1=O)C(C)O)CC(C)C)CCC(=O)N)C)C(C)O)CCCN=C(N)N)C)OC2C(C(C(C(O2)CO)O)O)O |
Product Overview
Herbicolin A (CAS 74188-23-1), with molecular formula C58H101N13O20 and molecular weight 1299.73 g/mol. IUPAC: N-[(E)-1-[[12-(3-amino-3-oxopropyl)-3-[3-(diaminomethylideneamino)propyl]-6,21-bis(1-hydroxyethyl)-7,25-dimethyl-18-(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-1-oxobut-2-en-2-yl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradecanamide.
Chemical Property Profile of Herbicolin A
Property Insights of Herbicolin A
The XLogP value of -4.942 indicates that Herbicolin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 526.74 Ų indicates high polarity, suggesting Herbicolin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Herbicolin A has 17 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Herbicolin A?
The CAS number of Herbicolin A is 74188-23-1.
What is the molecular formula of Herbicolin A?
The molecular formula of Herbicolin A is C58H101N13O20.
What is the molecular weight of Herbicolin A?
The molecular weight of Herbicolin A is 1299.73 g/mol.
Where can I buy Herbicolin A?
You can request a quote for Herbicolin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Herbicolin A?
Yes, KEHONG BIO provides custom synthesis services for Herbicolin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.