Syringotoxin B
TL;DR: Syringotoxin B (CAS 65547-14-0) is a chemical compound with molecular formula C48H82ClN11O18 and molecular weight 1135.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(9Z)-24-(2-aminoethyl)-15-(3-aminopropyl)-3-(2-chloro-1-hydroxyethyl)-9-ethylidene-12-(1-hydroxyethyl)-18-(2-hydroxyethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid
Also Known As: Syringotoxin B, Syringotoxin, 2-[(9Z)-24-(2-aminoethyl)-15-(3-aminopropyl)-3-(2-chloro-1-hydroxyethyl)-9-ethylidene-12-(1-hydroxyethyl)-18-(2-hydroxyethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid, 2-((9Z)-24-(2-aminoethyl)-15-(3-aminopropyl)-3-(2-chloro-1-hydroxyethyl)-9-ethylidene-12-(1-hydroxyethyl)-18-(2-hydroxyethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl)-2-hydroxyacetic acid
| Molecular Formula | C48H82ClN11O18 |
|---|---|
| Molecular Weight | 1135.55 g/mol |
| LogP | -5.359 |
| Topological Polar Surface Area | 478.69 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 25 |
| Exact Mass | 1135.5527 |
| Heavy Atoms | 78 |
| Complexity | 2019.0236 |
Chemical Identifiers
| CAS Number | 65547-14-0 |
|---|---|
| SMILES | CCCCCCCCCCCC(CC(=O)NC1COC(=O)C(NC(=O)C(NC(=O)/C(=C/C)/NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC1=O)CCN)CCO)CCCN)C(C)O)C(C(=O)O)O)C(CCl)O)O |
Product Overview
Syringotoxin B (CAS 65547-14-0), with molecular formula C48H82ClN11O18 and molecular weight 1135.55 g/mol. IUPAC: 2-[(9Z)-24-(2-aminoethyl)-15-(3-aminopropyl)-3-(2-chloro-1-hydroxyethyl)-9-ethylidene-12-(1-hydroxyethyl)-18-(2-hydroxyethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid.
Chemical Property Profile of Syringotoxin B
Property Insights of Syringotoxin B
The XLogP value of -5.359 indicates that Syringotoxin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 478.69 Ų indicates high polarity, suggesting Syringotoxin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Syringotoxin B has 17 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Syringotoxin B?
The CAS number of Syringotoxin B is 65547-14-0.
What is the molecular formula of Syringotoxin B?
The molecular formula of Syringotoxin B is C48H82ClN11O18.
What is the molecular weight of Syringotoxin B?
The molecular weight of Syringotoxin B is 1135.55 g/mol.
Where can I buy Syringotoxin B?
You can request a quote for Syringotoxin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Syringotoxin B?
Yes, KEHONG BIO provides custom synthesis services for Syringotoxin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.