J1.201.991B
TL;DR: J1.201.991B (CAS 102059-15-4) is a chemical compound with molecular formula C27H35NO10 and molecular weight 533.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C27H35NO10 |
|---|---|
| Molecular Weight | 533.23 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 533.2261 |
| Heavy Atoms | 38 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 102059-15-4 |
|---|---|
| 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 |
Product Overview
J1.201.991B (CAS 102059-15-4), with molecular formula C27H35NO10 and molecular weight 533.23 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-hydroxy-3-(propylamino)propoxy]-3-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid.
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
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 533.23 g/mol.
Where can I buy J1.201.991B?
You can request a quote for J1.201.991B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.201.991B?
Yes, KEHONG BIO provides custom synthesis services for J1.201.991B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.