1-Hydroxymethylmidazolam glucuronide
TL;DR: 1-Hydroxymethylmidazolam glucuronide (CAS 85770-95-2) is a chemical compound with molecular formula C24H21ClFN3O7 and molecular weight 517.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Mdz-glucuronide, 1-Hydroxymethylmidazolam glucuronide, 1'-OH MDZ glucuronide, 1-hydroxymidazolam glucuronide, 1'-hydroxymidazolam-glucuronide
| Molecular Formula | C24H21ClFN3O7 |
|---|---|
| Molecular Weight | 517.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 517.1052 |
| Heavy Atoms | 36 |
| Complexity | 840.0 |
Chemical Identifiers
| CAS Number | 85770-95-2 |
|---|---|
| SMILES | C1C2=CN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4F)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
| InChIKey | ICIUMXQTLQXWGL-QMDPOKHVSA-N |
Product Overview
1-Hydroxymethylmidazolam glucuronide (CAS 85770-95-2), with molecular formula C24H21ClFN3O7 and molecular weight 517.11 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 1-Hydroxymethylmidazolam glucuronide
Property Insights of 1-Hydroxymethylmidazolam glucuronide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxymethylmidazolam glucuronide. The TPSA of 147.0 Ų indicates high polarity, suggesting 1-Hydroxymethylmidazolam glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Hydroxymethylmidazolam glucuronide 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 1-Hydroxymethylmidazolam glucuronide?
The CAS number of 1-Hydroxymethylmidazolam glucuronide is 85770-95-2.
What is the molecular formula of 1-Hydroxymethylmidazolam glucuronide?
The molecular formula of 1-Hydroxymethylmidazolam glucuronide is C24H21ClFN3O7.
What is the molecular weight of 1-Hydroxymethylmidazolam glucuronide?
The molecular weight of 1-Hydroxymethylmidazolam glucuronide is 517.11 g/mol.
Where can I buy 1-Hydroxymethylmidazolam glucuronide?
You can request a quote for 1-Hydroxymethylmidazolam glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxymethylmidazolam glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxymethylmidazolam glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.