Mycoplanecin B
TL;DR: Mycoplanecin B (CAS 81018-84-0) is a chemical compound with molecular formula C60H100N10O13 and molecular weight 1168.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,4-dimethyl-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 B, 2-(4-Methylproline)mycoplanecin A, Mycoplanecin A, 2-(4-methylproline)-, HY-N14374, N,4-dimethyl-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
| Molecular Formula | C60H100N10O13 |
|---|---|
| Molecular Weight | 1168.75 g/mol |
| LogP | 2.61 |
| Topological Polar Surface Area | 272.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 15 |
| Exact Mass | 1168.7472 |
| Heavy Atoms | 83 |
| Complexity | 2395.945 |
Chemical Identifiers
| CAS Number | 81018-84-0 |
|---|---|
| SMILES | CCC(=O)C(=O)N(C)C(C(C)C)C(=O)N1CC(CC1C(=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)C |
Product Overview
Mycoplanecin B (CAS 81018-84-0), with molecular formula C60H100N10O13 and molecular weight 1168.75 g/mol. IUPAC: N,4-dimethyl-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 B
Property Insights of Mycoplanecin B
The XLogP value of 2.61 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mycoplanecin B. The TPSA of 272.84 Ų indicates high polarity, suggesting Mycoplanecin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mycoplanecin B 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 B?
The CAS number of Mycoplanecin B is 81018-84-0.
What is the molecular formula of Mycoplanecin B?
The molecular formula of Mycoplanecin B is C60H100N10O13.
What is the molecular weight of Mycoplanecin B?
The molecular weight of Mycoplanecin B is 1168.75 g/mol.
Where can I buy Mycoplanecin B?
You can request a quote for Mycoplanecin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mycoplanecin B?
Yes, KEHONG BIO provides custom synthesis services for Mycoplanecin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.