Dihydrocyclosporin D
TL;DR: Dihydrocyclosporin D (CAS 63775-91-7) is a chemical compound with molecular formula C63H115N11O12 and molecular weight 1217.87 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)-33-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(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 D, 2-Val-dihydrocyclosporin, Dihydrocyclosporin, Cyclosporin A der., 2-Valyl-dihydrocyclosporin
| Molecular Formula | C63H115N11O12 |
|---|---|
| Molecular Weight | 1217.87 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 279.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 1217.8727 |
| Heavy Atoms | 86 |
| Complexity | 2310.0 |
Chemical Identifiers
| CAS Number | 63775-91-7 |
|---|---|
| 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)C(C)C)O |
| InChIKey | GEUKOOCPPICVTB-SMOCYEBVSA-N |
Product Overview
Dihydrocyclosporin D (CAS 63775-91-7), with molecular formula C63H115N11O12 and molecular weight 1217.87 g/mol. IUPAC: (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(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 Dihydrocyclosporin D
Property Insights of Dihydrocyclosporin D
The XLogP value of 8.6 indicates that Dihydrocyclosporin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 279.0 Ų indicates high polarity, suggesting Dihydrocyclosporin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dihydrocyclosporin D 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 Dihydrocyclosporin D?
The CAS number of Dihydrocyclosporin D is 63775-91-7.
What is the molecular formula of Dihydrocyclosporin D?
The molecular formula of Dihydrocyclosporin D is C63H115N11O12.
What is the molecular weight of Dihydrocyclosporin D?
The molecular weight of Dihydrocyclosporin D is 1217.87 g/mol.
Where can I buy Dihydrocyclosporin D?
You can request a quote for Dihydrocyclosporin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydrocyclosporin D?
Yes, KEHONG BIO provides custom synthesis services for Dihydrocyclosporin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.