Phomopsin A
TL;DR: Phomopsin A (CAS 64925-80-0) is a chemical compound with molecular formula C36H45ClN6O12 and molecular weight 788.2784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[[1-[14-chloro-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-prop-1-en-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]-2,5-dihydropyrrole-2-carbonyl]amino]-3-methylpent-2-enoyl]amino]but-2-enedioic acid
Also Known As: Phomopsin A, Phomopsin, (E)-2-[[(E)-2-[[(2S)-1-[(3R,4S,7S,10S,11S)-14-chloro-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-prop-1-en-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]-2,5-dihydropyrrole-2-carbonyl]amino]-3-methylpent-2-enoyl]amino]but-2-enedioic acid, 2-[[2-[[1-[14-chloro-10-ethyl-2,13-dihydroxy-10-methyl-3-(methylamino)-4,7-dioxo-6-prop-1-en-2-yl-11-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-triene-9-carbonyl]-2,5-dihydropyrrole-2-carbonyl]amino]-3-methylpent-2-enoyl]amino]but-2-enedioic acid
Technical Specifications
| Molecular Formula | C36H45ClN6O12 |
| Molecular Weight | 788.2784 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 273.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 788.2784 Da |
| Heavy Atoms | 55 |
| Complexity | 1660.0 |
| SMILES | CCC(=C(C(=O)NC(=CC(=O)O)C(=O)O)NC(=O)C1C=CCN1C(=O)C2C(OC3=C(C(=CC(=C3)C(C(C(=O)NC(C(=O)N2)C(=C)C)NC)O)Cl)O)(C)CC)C |
| InChIKey | FAFRRYBYQKPKSY-UHFFFAOYSA-N |
Product Description
Applications: Phomopsin A is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Phomopsin A is a fine chemical identified by CAS number 64925-80-0 and the molecular formula C36H45ClN6O12 and a molecular weight of 788.28 g/mol. Synonyms include Phomopsin A and Phomopsin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Phomopsin A
Property Insights of Phomopsin A
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phomopsin A. The TPSA of 273.0 Ų indicates high polarity, suggesting Phomopsin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phomopsin A has 9 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Phomopsin A?
The CAS number of Phomopsin A is 64925-80-0.
What is the molecular formula of Phomopsin A?
The molecular formula of Phomopsin A is C36H45ClN6O12.
What is the molecular weight of Phomopsin A?
The molecular weight of Phomopsin A is 788.2784 g/mol.
What are the applications of Phomopsin A?
Phomopsin A is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Phomopsin A?
You can request a quote for Phomopsin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phomopsin A?
Yes, CoreyChem provides custom synthesis services for Phomopsin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.