2'-Iododiazepam
TL;DR: 2'-Iododiazepam (CAS 123847-23-4) is a chemical compound with molecular formula C16H12ClIN2O and molecular weight 409.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-(2-iodophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
Also Known As: 2'-Iododiazepam, 2/'-Iododiazepam, 2'-Idz, 2 -Iododiazepam, 7-chloro-5-(2-iodophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
| Molecular Formula | C16H12ClIN2O |
|---|---|
| Molecular Weight | 409.97 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 409.9683 |
| Heavy Atoms | 21 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 123847-23-4 |
|---|---|
| SMILES | CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3I |
| InChIKey | DCSDXUHSHHOMKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Iododiazepam (CAS 123847-23-4), with molecular formula C16H12ClIN2O and molecular weight 409.97 g/mol. IUPAC: 7-chloro-5-(2-iodophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 2'-Iododiazepam
Property Insights of 2'-Iododiazepam
The XLogP value of 3.3 indicates that 2'-Iododiazepam is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 2'-Iododiazepam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-Iododiazepam has 0 hydrogen bond donor(s) and 2 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 2'-Iododiazepam?
The CAS number of 2'-Iododiazepam is 123847-23-4.
What is the molecular formula of 2'-Iododiazepam?
The molecular formula of 2'-Iododiazepam is C16H12ClIN2O.
What is the molecular weight of 2'-Iododiazepam?
The molecular weight of 2'-Iododiazepam is 409.97 g/mol.
Where can I buy 2'-Iododiazepam?
You can request a quote for 2'-Iododiazepam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Iododiazepam?
Yes, KEHONG BIO provides custom synthesis services for 2'-Iododiazepam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.