Metesind glucuronate
TL;DR: Metesind glucuronate (CAS 157182-23-5) is a chemical compound with molecular formula C29H34N4O10S and molecular weight 630.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-N-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine;(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
Also Known As: Metesind glucuronate, 2-Imino-N-methyl-N-{[4-(morpholine-4-sulfonyl)phenyl]methyl}-1,2-dihydrobenzo[cd]indol-6-amine--D-mannuronic acid (1/1), 2-Imino-N-methyl-N-{[4-(morpholine-4-sulfonyl)phenyl]methyl}-1,2-dihydrobenzo[cd]indol-6-amine--hexuronic acid (1/1)
| Molecular Formula | C29H34N4O10S |
|---|---|
| Molecular Weight | 630.20 g/mol |
| LogP | -0.439 |
| Topological Polar Surface Area | 223.52 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 630.1996 |
| Heavy Atoms | 44 |
| Complexity | 1641.8457 |
Chemical Identifiers
| CAS Number | 157182-23-5 |
|---|---|
| SMILES | CN(CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=C4C=CC=C5C4=C(C=C3)N=C5N.C(=O)[C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O |
Product Overview
Metesind glucuronate (CAS 157182-23-5), with molecular formula C29H34N4O10S and molecular weight 630.20 g/mol. IUPAC: 6-N-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine;(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid.
Chemical Property Profile of Metesind glucuronate
Property Insights of Metesind glucuronate
The XLogP value of -0.439 indicates that Metesind glucuronate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 223.52 Ų indicates high polarity, suggesting Metesind glucuronate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Metesind glucuronate has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Metesind glucuronate?
The CAS number of Metesind glucuronate is 157182-23-5.
What is the molecular formula of Metesind glucuronate?
The molecular formula of Metesind glucuronate is C29H34N4O10S.
What is the molecular weight of Metesind glucuronate?
The molecular weight of Metesind glucuronate is 630.20 g/mol.
Where can I buy Metesind glucuronate?
You can request a quote for Metesind glucuronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metesind glucuronate?
Yes, KEHONG BIO provides custom synthesis services for Metesind glucuronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.