beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate)
TL;DR: beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate) (CAS 82576-34-9) is a chemical compound with molecular formula C24H22ClNO10 and molecular weight 519.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate), 3,7,12-Trihydroxy-27-carboxymethylcholestan-26-oic acid, 1-O-{[1-(4-Chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetyl}-beta-D-glucopyranuronic acid, (2S,3S,4S,5R,6S)-6-[2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C24H22ClNO10 |
|---|---|
| Molecular Weight | 519.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.0932 |
| Heavy Atoms | 36 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 82576-34-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N(C=C2CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)C4=CC=C(C=C4)Cl |
| InChIKey | MBVVNYVDNVXSIR-NABGWTBKSA-N |
Product Overview
beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate) (CAS 82576-34-9), with molecular formula C24H22ClNO10 and molecular weight 519.09 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate)
Property Insights of beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate). The TPSA of 165.0 Ų indicates high polarity, suggesting beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate) has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate)?
The CAS number of beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate) is 82576-34-9.
What is the molecular formula of beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate)?
The molecular formula of beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate) is C24H22ClNO10.
What is the molecular weight of beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate)?
The molecular weight of beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate) is 519.09 g/mol.
Where can I buy beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate)?
You can request a quote for beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate)?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.