DihydroCsA
TL;DR: DihydroCsA (CAS 59865-15-5) is a chemical compound with molecular formula C62H113N11O12 and molecular weight 1203.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Also Known As: Dihydrocyclosporin A, DihydroCsA, Cyclosporin A der., Dihydro Cyclosporin A, Cyclosporin A, 6-((3R,4R)-3-hydroxy-N,4-dimethyl-L-2-aminooctanoic acid)-
| Molecular Formula | C62H113N11O12 |
|---|---|
| Molecular Weight | 1203.86 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 279.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 1203.857 |
| Heavy Atoms | 85 |
| Complexity | 2280.0 |
Chemical Identifiers
| CAS Number | 59865-15-5 |
|---|---|
| SMILES | CCCC[C@@H](C)[C@H](C1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)CC)O |
| InChIKey | TYFOVYYNQGNDKH-CJOIJTDBSA-N |
Product Overview
DihydroCsA (CAS 59865-15-5), with molecular formula C62H113N11O12 and molecular weight 1203.86 g/mol. IUPAC: (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.
Chemical Property Profile of DihydroCsA
Property Insights of DihydroCsA
The XLogP value of 8.2 indicates that DihydroCsA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 279.0 Ų indicates high polarity, suggesting DihydroCsA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DihydroCsA has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DihydroCsA?
The CAS number of DihydroCsA is 59865-15-5.
What is the molecular formula of DihydroCsA?
The molecular formula of DihydroCsA is C62H113N11O12.
What is the molecular weight of DihydroCsA?
The molecular weight of DihydroCsA is 1203.86 g/mol.
Where can I buy DihydroCsA?
You can request a quote for DihydroCsA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DihydroCsA?
Yes, KEHONG BIO provides custom synthesis services for DihydroCsA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.