cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)-
TL;DR: cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)- (CAS 114865-22-4) is a chemical compound with molecular formula C63H113N11O12 and molecular weight 1215.86 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-[(E,1R)-1-hydroxy-2,2-dimethylhex-4-enyl]-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: Bm2t-Cyclosporin A, (Mebm2t)-csa, Cyclosporin A der., Bm2t-CsA, MeBm(2)t1-CsA
| Molecular Formula | C63H113N11O12 |
|---|---|
| Molecular Weight | 1215.86 g/mol |
| LogP | 3.6591 |
| Topological Polar Surface Area | 278.8 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 1215.857 |
| Heavy Atoms | 86 |
| Complexity | 2374.034 |
Chemical Identifiers
| CAS Number | 114865-22-4 |
|---|---|
| SMILES | CC[C@H]1C(=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)N(C(C(=O)N1)[C@@H](C(C)(C)C/C=C/C)O)C)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 |
Product Overview
cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)- (CAS 114865-22-4), with molecular formula C63H113N11O12 and molecular weight 1215.86 g/mol. IUPAC: (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(E,1R)-1-hydroxy-2,2-dimethylhex-4-enyl]-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 cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)-
Property Insights of cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)-
The XLogP value of 3.6591 indicates that cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 278.8 Ų indicates high polarity, suggesting cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)- 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 cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)-?
The CAS number of cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)- is 114865-22-4.
What is the molecular formula of cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)-?
The molecular formula of cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)- is C63H113N11O12.
What is the molecular weight of cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)-?
The molecular weight of cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)- is 1215.86 g/mol.
Where can I buy cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)-?
You can request a quote for cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)-?
Yes, KEHONG BIO provides custom synthesis services for cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.