Imacidin C
TL;DR: Imacidin C (CAS 72509-89-8) is a chemical compound with molecular formula C56H92N14O18S and molecular weight 1280.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1-[[4-[[1-[[1-[[3,12-bis(1-hydroxyethyl)-9-(1H-imidazol-5-ylmethyl)-6,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-[(3-hydroxy-11-methyldodecanoyl)amino]-3-oxopropane-1-sulfonic acid
Also Known As: IMACIDIN C, 3-[[1-[[4-[[1-[[1-[[3,12-bis(1-hydroxyethyl)-9-(1H-imidazol-5-ylmethyl)-6,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-[(3-hydroxy-11-methyldodecanoyl)amino]-3-oxopropane-1-sulfonic acid, N-(3-Hydroxy-11-methyldodecanoyl)-3-sulfoalanyl-N-(4-{[1-{[1-({3,12-bis(1-hydroxyethyl)-9-[(1H-imidazol-5-yl)methyl]-6,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl}amino)-1-oxopropan-2-yl]amino}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino}-4-oxobutyl)leucinamide
| Molecular Formula | C56H92N14O18S |
|---|---|
| Molecular Weight | 1280.64 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 498.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 33 |
| Exact Mass | 1280.6434 |
| Heavy Atoms | 89 |
| Complexity | 2490.0 |
Chemical Identifiers
| CAS Number | 72509-89-8 |
|---|---|
| SMILES | CC1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)O)C)CC2=CN=CN2)C(C)O)NC(=O)C(C)NC(=O)C(CC3=CN=CN3)NC(=O)CCCNC(=O)C(CC(C)C)NC(=O)C(CS(=O)(=O)O)NC(=O)CC(CCCCCCCC(C)C)O |
| InChIKey | MGLOHMZSHYDHJO-UHFFFAOYSA-N |
Product Overview
Imacidin C (CAS 72509-89-8), with molecular formula C56H92N14O18S and molecular weight 1280.64 g/mol. IUPAC: 3-[[1-[[4-[[1-[[1-[[3,12-bis(1-hydroxyethyl)-9-(1H-imidazol-5-ylmethyl)-6,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-[(3-hydroxy-11-methyldodecanoyl)amino]-3-oxopropane-1-sulfonic acid.
Chemical Property Profile of Imacidin C
Property Insights of Imacidin C
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imacidin C. The TPSA of 498.0 Ų indicates high polarity, suggesting Imacidin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Imacidin C has 16 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Imacidin C?
The CAS number of Imacidin C is 72509-89-8.
What is the molecular formula of Imacidin C?
The molecular formula of Imacidin C is C56H92N14O18S.
What is the molecular weight of Imacidin C?
The molecular weight of Imacidin C is 1280.64 g/mol.
Where can I buy Imacidin C?
You can request a quote for Imacidin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imacidin C?
Yes, KEHONG BIO provides custom synthesis services for Imacidin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.