Mycoplanecin A, dihydro-
TL;DR: Mycoplanecin A, dihydro- (CAS 79003-68-2) is a chemical compound with molecular formula C61H104N10O13 and molecular weight 1184.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-ethyl-1-[(2S)-2-[2-hydroxybutanoyl(methyl)amino]-3-methylbutanoyl]-N-methyl-N-[(3S,6S,9S,15S,18S,19R,25R,28S)-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: Dihydromycoplanecin A, Mycoplanecin A, dihydro-, Dihydromycoplanecin-A, Mycoplanecin A, 1-(N-(2-hydroxy-1-oxobutyl)-N-methylvaline)-, Mycoplanecin A, 1-[N-(2-hydroxy-1-oxobutyl)-N-methylvaline]-
| Molecular Formula | C61H104N10O13 |
|---|---|
| Molecular Weight | 1184.78 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 276.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 1184.7784 |
| Heavy Atoms | 84 |
| Complexity | 2370.0 |
Chemical Identifiers
| CAS Number | 79003-68-2 |
|---|---|
| SMILES | CCC1C[C@H](N(C1)C(=O)[C@H](C(C)C)N(C)C(=O)C(CC)O)C(=O)N(C)[C@H]2[C@H](OC(=O)CNC(=O)[C@H](N(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H]4CC(CN4C(=O)[C@@H](NC2=O)CC(C)C)C)CCC(C)C)C)C(C)C)C)CC(C)C)C |
| InChIKey | FKXYYGSDGSWQIM-MCVTUQHGSA-N |
Product Overview
Mycoplanecin A, dihydro- (CAS 79003-68-2), with molecular formula C61H104N10O13 and molecular weight 1184.78 g/mol. IUPAC: (2S)-4-ethyl-1-[(2S)-2-[2-hydroxybutanoyl(methyl)amino]-3-methylbutanoyl]-N-methyl-N-[(3S,6S,9S,15S,18S,19R,25R,28S)-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, dihydro-
Property Insights of Mycoplanecin A, dihydro-
The XLogP value of 6.4 indicates that Mycoplanecin A, dihydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 276.0 Ų indicates high polarity, suggesting Mycoplanecin A, dihydro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mycoplanecin A, dihydro- has 4 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, dihydro-?
The CAS number of Mycoplanecin A, dihydro- is 79003-68-2.
What is the molecular formula of Mycoplanecin A, dihydro-?
The molecular formula of Mycoplanecin A, dihydro- is C61H104N10O13.
What is the molecular weight of Mycoplanecin A, dihydro-?
The molecular weight of Mycoplanecin A, dihydro- is 1184.78 g/mol.
Where can I buy Mycoplanecin A, dihydro-?
You can request a quote for Mycoplanecin A, dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mycoplanecin A, dihydro-?
Yes, KEHONG BIO provides custom synthesis services for Mycoplanecin A, dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.