J1.201.991B
TL;DR: J1.201.991B (CAS 102059-15-4) is a chemical compound with molecular formula C27H35NO10 and molecular weight 533.2261 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-hydroxy-3-(propylamino)propoxy]-3-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid
Also Known As: J1.201.991B, beta-D-Glucopyranosiduronic acid, 4-(2-hydroxy-3-(propylamino)propoxy)-3-(1-oxo-3-phenylpropyl)phenyl, 4-[2-Hydroxy-3-(propylamino)propoxy]-3-(3-phenylpropanoyl)phenyl hexopyranosiduronic acid, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-hydroxy-3-(propylamino)propoxy]-3-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{4-[2-hydroxy-3-(propylamino)propoxy]-3-(3-phenylpropanoyl)phenoxy}oxane-2-carboxylic acid
Technical Specifications
| Molecular Formula | C27H35NO10 |
| Molecular Weight | 533.2261 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 533.2261 Da |
| Heavy Atoms | 38 |
| Complexity | 733.0 |
| SMILES | CCCNCC(COC1=C(C=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(=O)CCC3=CC=CC=C3)O |
| InChIKey | MHOSFHVRIVSCBR-CEBAHODLSA-N |
Chemical Property Profile of J1.201.991B
Property Insights of J1.201.991B
The XLogP value of -0.9 indicates that J1.201.991B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting J1.201.991B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.201.991B has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of J1.201.991B?
The CAS number of J1.201.991B is 102059-15-4.
What is the molecular formula of J1.201.991B?
The molecular formula of J1.201.991B is C27H35NO10.
What is the molecular weight of J1.201.991B?
The molecular weight of J1.201.991B is 533.2261 g/mol.
Where can I buy J1.201.991B?
You can request a quote for J1.201.991B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for J1.201.991B?
Yes, CoreyChem provides custom synthesis services for J1.201.991B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.