CYCLOMARIN A
TL;DR: CYCLOMARIN A (CAS 169062-92-4) is a chemical compound with molecular formula C56H82N8O11 and molecular weight 1042.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S,9S,12S,15S,18S,21S)-21-(3-hydroxy-2-methylpropyl)-3-[hydroxy-[1-[2-(oxiran-2-yl)propan-2-yl]indol-3-yl]methyl]-15-[methoxy(phenyl)methyl]-1,10,18-trimethyl-6-(4-methylpent-3-en-2-yl)-9-(2-methylpropyl)-12-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
Also Known As: CYCLOMARIN A, (3S,6S,9S,12S,15S,18S,21S)-21-(3-Hydroxy-2-methylpropyl)-3-[hydroxy-[1-[2-(oxiran-2-yl)propan-2-yl]indol-3-yl]methyl]-15-[methoxy(phenyl)methyl]-1,10,18-trimethyl-6-(4-methylpent-3-en-2-yl)-9-(2-methylpropyl)-12-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
| Molecular Formula | C56H82N8O11 |
|---|---|
| Molecular Weight | 1042.61 g/mol |
| LogP | 3.6307 |
| Topological Polar Surface Area | 253.27 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 1042.6104 |
| Heavy Atoms | 75 |
| Complexity | 2536.8003 |
Chemical Identifiers
| CAS Number | 169062-92-4 |
|---|---|
| SMILES | C[C@H]1C(=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)N1)CC(C)CO)C)C(C2=CN(C3=CC=CC=C32)C(C)(C)C4CO4)O)C(C)C=C(C)C)CC(C)C)C)C(C)C)C(C5=CC=CC=C5)OC |
Product Overview
CYCLOMARIN A (CAS 169062-92-4), with molecular formula C56H82N8O11 and molecular weight 1042.61 g/mol. IUPAC: (3S,6S,9S,12S,15S,18S,21S)-21-(3-hydroxy-2-methylpropyl)-3-[hydroxy-[1-[2-(oxiran-2-yl)propan-2-yl]indol-3-yl]methyl]-15-[methoxy(phenyl)methyl]-1,10,18-trimethyl-6-(4-methylpent-3-en-2-yl)-9-(2-methylpropyl)-12-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone.
Chemical Property Profile of CYCLOMARIN A
Property Insights of CYCLOMARIN A
The XLogP value of 3.6307 indicates that CYCLOMARIN A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 253.27 Ų indicates high polarity, suggesting CYCLOMARIN A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CYCLOMARIN A has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CYCLOMARIN A?
The CAS number of CYCLOMARIN A is 169062-92-4.
What is the molecular formula of CYCLOMARIN A?
The molecular formula of CYCLOMARIN A is C56H82N8O11.
What is the molecular weight of CYCLOMARIN A?
The molecular weight of CYCLOMARIN A is 1042.61 g/mol.
Where can I buy CYCLOMARIN A?
You can request a quote for CYCLOMARIN A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CYCLOMARIN A?
Yes, KEHONG BIO provides custom synthesis services for CYCLOMARIN A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.