Mycoplanecin A
TL;DR: Mycoplanecin A (CAS 72993-51-2) is a chemical compound with molecular formula C61H102N10O13 and molecular weight 1182.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-N-methyl-1-[3-methyl-2-[methyl(2-oxobutanoyl)amino]butanoyl]-N-[4,11,19,26-tetramethyl-6-(3-methylbutyl)-15,25-bis(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.09,13]hentriacontan-18-yl]pyrrolidine-2-carboxamide
Also Known As: Mycoplanecin A, mycoplanecinA, 4-ethyl-N-methyl-1-[3-methyl-2-[methyl(2-oxobutanoyl)amino]butanoyl]-N-[4,11,19,26-tetramethyl-6-(3-methylbutyl)-15,25-bis(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.09,13]hentriacontan-18-yl]pyrrolidine-2-carboxamide, 4-ethyl-N-methyl-1-(3-methyl-2-(methyl(2-oxobutanoyl)amino)butanoyl)-N-(4,11,19,26-tetramethyl-6-(3-methylbutyl)-15,25-bis(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo(26.3.0.09,13)hentriacontan-18-yl)pyrrolidine-2-carboxamide, N-Methyl-N-(2-oxobutanoyl)valyl-4-ethyl-N-methyl-N-[2,10,17,25-tetramethyl-27-(3-methylbutyl)-6,16-bis(2-methylpropyl)-5,8,12,15,18,23,26,29-octaoxo-24-(propan-2-yl)hexacosahydro-1H,12H-dipyrrolo[2,1-i:2',1'-r][1,4,7,10,13,16,19,22]oxaheptaazacyclopentacosin-9-yl]prolinamide
| Molecular Formula | C61H102N10O13 |
|---|---|
| Molecular Weight | 1182.76 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 273.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 1182.7628 |
| Heavy Atoms | 84 |
| Complexity | 2410.0 |
Chemical Identifiers
| CAS Number | 72993-51-2 |
|---|---|
| SMILES | CCC1CC(N(C1)C(=O)C(C(C)C)N(C)C(=O)C(=O)CC)C(=O)N(C)C2C(OC(=O)CNC(=O)C(N(C(=O)C3CCCN3C(=O)C(N(C(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(C)C)C)CCC(C)C)C)C(C)C)C)CC(C)C)C |
| InChIKey | ICFLLAYTOVAMGO-UHFFFAOYSA-N |
Product Overview
Mycoplanecin A (CAS 72993-51-2), with molecular formula C61H102N10O13 and molecular weight 1182.76 g/mol. IUPAC: 4-ethyl-N-methyl-1-[3-methyl-2-[methyl(2-oxobutanoyl)amino]butanoyl]-N-[4,11,19,26-tetramethyl-6-(3-methylbutyl)-15,25-bis(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.09,13]hentriacontan-18-yl]pyrrolidine-2-carboxamide.
Chemical Property Profile of Mycoplanecin A
Property Insights of Mycoplanecin A
The XLogP value of 6.5 indicates that Mycoplanecin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 273.0 Ų indicates high polarity, suggesting Mycoplanecin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mycoplanecin A has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mycoplanecin A?
The CAS number of Mycoplanecin A is 72993-51-2.
What is the molecular formula of Mycoplanecin A?
The molecular formula of Mycoplanecin A is C61H102N10O13.
What is the molecular weight of Mycoplanecin A?
The molecular weight of Mycoplanecin A is 1182.76 g/mol.
Where can I buy Mycoplanecin A?
You can request a quote for Mycoplanecin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mycoplanecin A?
Yes, KEHONG BIO provides custom synthesis services for Mycoplanecin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.