KST-1A1822
TL;DR: KST-1A1822 (CAS 16045-72-0) is a chemical compound with molecular formula C45H69N17O14S2 and molecular weight 1135.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-acetamido-3-(2-amino-2-oxoethyl)-11-carbamoyl-14,26-bis[3-(diaminomethylideneamino)propyl]-17-[(4-methoxyphenyl)methyl]-2,5,13,16,19,22,25,28-octaoxo-8,9-dithia-1,4,12,15,18,21,24,27-octazabicyclo[27.3.0]dotriacontan-20-yl]acetic acid
Also Known As: KST-1A1822, KST-1A1823, TP 9201, [23-(acetylamino)-26-(2-amino-2-oxoethyl)-18-carbamoyl-3,15-bis{3-[(diaminomethylidene)amino]propyl}-12-(4-methoxybenzyl)-1,4,7,10,13,16,24,27-octaoxooctacosahydro-1h-pyrrolo[2,1-v][1,2,5,8,11,14,17,20,23,26]dithiaoctaazacyclononacosin-9-yl]acetic acid, 2-[6-acetamido-11-carbamoyl-3-(carbamoylmethyl)-14,26-bis[3-(diaminomethylideneamino)propyl]-17-[(4-methoxyphenyl)methyl]-2,5,13,16,19,22,25,28-octaoxo-8,9-dithia-1,4,12,15,18,21,24,27-octazabicyclo[27.3.0]dotriacont-20-yl]acetic acid
| Molecular Formula | C45H69N17O14S2 |
|---|---|
| Molecular Weight | 1135.47 g/mol |
| LogP | -6.7 |
| Topological Polar Surface Area | 565.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 17 |
| Exact Mass | 1135.4651 |
| Heavy Atoms | 78 |
| Complexity | 2230.0 |
Chemical Identifiers
| CAS Number | 16045-72-0 |
|---|---|
| SMILES | CC(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C2CCCN2C(=O)C(NC1=O)CC(=O)N)CCCN=C(N)N)CC(=O)O)CC3=CC=C(C=C3)OC)CCCN=C(N)N)C(=O)N |
| InChIKey | RRPUNOOJZOAZNU-UHFFFAOYSA-N |
Product Overview
KST-1A1822 (CAS 16045-72-0), with molecular formula C45H69N17O14S2 and molecular weight 1135.47 g/mol. IUPAC: 2-[6-acetamido-3-(2-amino-2-oxoethyl)-11-carbamoyl-14,26-bis[3-(diaminomethylideneamino)propyl]-17-[(4-methoxyphenyl)methyl]-2,5,13,16,19,22,25,28-octaoxo-8,9-dithia-1,4,12,15,18,21,24,27-octazabicyclo[27.3.0]dotriacontan-20-yl]acetic acid.
Chemical Property Profile of KST-1A1822
Property Insights of KST-1A1822
The XLogP value of -6.7 indicates that KST-1A1822 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 565.0 Ų indicates high polarity, suggesting KST-1A1822 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1A1822 has 15 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A1822?
The CAS number of KST-1A1822 is 16045-72-0.
What is the molecular formula of KST-1A1822?
The molecular formula of KST-1A1822 is C45H69N17O14S2.
What is the molecular weight of KST-1A1822?
The molecular weight of KST-1A1822 is 1135.47 g/mol.
Where can I buy KST-1A1822?
You can request a quote for KST-1A1822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A1822?
Yes, KEHONG BIO provides custom synthesis services for KST-1A1822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.