Alprazolam dihydrate
TL;DR: Alprazolam dihydrate (CAS 135748-32-2) is a chemical compound with molecular formula C17H17ClN4O2 and molecular weight 344.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;dihydrate
Also Known As: Alprazolam dihydrate, Avian thymic hormone, 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-, dihydrate, 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]ben, 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine dihydrate
| Molecular Formula | C17H17ClN4O2 |
|---|---|
| Molecular Weight | 344.10 g/mol |
| LogP | 1.93072 |
| Topological Polar Surface Area | 45.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.104 |
| Heavy Atoms | 24 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 135748-32-2 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4.O.O |
| InChIKey | BTXVPVVNJNBVPC-UHFFFAOYSA-N |
Product Overview
Alprazolam dihydrate (CAS 135748-32-2), with molecular formula C17H17ClN4O2 and molecular weight 344.10 g/mol. IUPAC: 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;dihydrate.
Chemical Property Profile of Alprazolam dihydrate
Property Insights of Alprazolam dihydrate
The XLogP value of 1.93072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alprazolam dihydrate. With a topological polar surface area (TPSA) of 45.1 Ų, Alprazolam dihydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alprazolam dihydrate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alprazolam dihydrate?
The CAS number of Alprazolam dihydrate is 135748-32-2.
What is the molecular formula of Alprazolam dihydrate?
The molecular formula of Alprazolam dihydrate is C17H17ClN4O2.
What is the molecular weight of Alprazolam dihydrate?
The molecular weight of Alprazolam dihydrate is 344.10 g/mol.
Where can I buy Alprazolam dihydrate?
You can request a quote for Alprazolam dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alprazolam dihydrate?
Yes, KEHONG BIO provides custom synthesis services for Alprazolam dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.