Spectramide
TL;DR: Spectramide (CAS 125141-02-8) is a chemical compound with molecular formula C19H23ClIN3O2 and molecular weight 487.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[2-[(4-iodophenyl)methyl-methylamino]ethyl]-2-methoxy-4-(methylamino)benzamide
Also Known As: Spectramide, N-IMB, Benzenemethanol, 2-fluoro--(nitromethyl)-, 5-chloro-N-[2-[(4-iodophenyl)methyl-methylamino]ethyl]-2-methoxy-4-(methylamino)benzamide, N-(2-(N'-4-Iodobenzyl-N'-methyl)aminoethyl)-5-chloro-2-methoxy-4-(methylamino)benzamide
| Molecular Formula | C19H23ClIN3O2 |
|---|---|
| Molecular Weight | 487.05 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.05234 |
| Heavy Atoms | 26 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 125141-02-8 |
|---|---|
| SMILES | CNC1=C(C=C(C(=C1)OC)C(=O)NCCN(C)CC2=CC=C(C=C2)I)Cl |
| InChIKey | SSXZAENYAVXXOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spectramide (CAS 125141-02-8), with molecular formula C19H23ClIN3O2 and molecular weight 487.05 g/mol. IUPAC: 5-chloro-N-[2-[(4-iodophenyl)methyl-methylamino]ethyl]-2-methoxy-4-(methylamino)benzamide.
Chemical Property Profile of Spectramide
Property Insights of Spectramide
The XLogP value of 4.0 indicates that Spectramide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, Spectramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spectramide has 2 hydrogen bond donor(s) and 4 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 Spectramide?
The CAS number of Spectramide is 125141-02-8.
What is the molecular formula of Spectramide?
The molecular formula of Spectramide is C19H23ClIN3O2.
What is the molecular weight of Spectramide?
The molecular weight of Spectramide is 487.05 g/mol.
Where can I buy Spectramide?
You can request a quote for Spectramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spectramide?
Yes, KEHONG BIO provides custom synthesis services for Spectramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.