Exherin
TL;DR: Exherin (CAS 229971-81-7) is a chemical compound with molecular formula C22H34N8O6S2 and molecular weight 570.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,7S,10S,13S,16R)-16-acetamido-13-(1H-imidazol-5-ylmethyl)-10-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide
Also Known As: Exherin, Exherin free base, Cys-his-ala-val-cys, ADH-1 pepide, N-Ac-CHAVC-NH2
| Molecular Formula | C22H34N8O6S2 |
|---|---|
| Molecular Weight | 570.20 g/mol |
| LogP | -2.0477 |
| Topological Polar Surface Area | 217.27 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 570.2043 |
| Heavy Atoms | 38 |
| Complexity | 1021.49054 |
Chemical Identifiers
| CAS Number | 229971-81-7 |
|---|---|
| SMILES | C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CN=CN2)NC(=O)C)C(=O)N)C(C)C |
Product Overview
Exherin (CAS 229971-81-7), with molecular formula C22H34N8O6S2 and molecular weight 570.20 g/mol. IUPAC: (4R,7S,10S,13S,16R)-16-acetamido-13-(1H-imidazol-5-ylmethyl)-10-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide.
Chemical Property Profile of Exherin
Property Insights of Exherin
The XLogP value of -2.0477 indicates that Exherin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 217.27 Ų indicates high polarity, suggesting Exherin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Exherin has 7 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 Exherin?
The CAS number of Exherin is 229971-81-7.
What is the molecular formula of Exherin?
The molecular formula of Exherin is C22H34N8O6S2.
What is the molecular weight of Exherin?
The molecular weight of Exherin is 570.20 g/mol.
Where can I buy Exherin?
You can request a quote for Exherin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Exherin?
Yes, KEHONG BIO provides custom synthesis services for Exherin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.