C21H22I3N3O3.ClH
TL;DR: C21H22I3N3O3.ClH (CAS 22708-50-5) is a chemical compound with molecular formula C21H23ClI3N3O3 and molecular weight 780.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[[3-(dimethylaminomethylideneamino)-2,4,6-triiodobenzoyl]amino]phenyl]methyl]butanoic acid;hydrochloride
Also Known As: Hydrocinnamic acid, m-(3-(((dimethylamino)methylene)amino)-2,4,6-triiodobenzamido)-alpha-ethyl-, monohydrochloride, 2-[[3-[[3-(dimethylaminomethylideneamino)-2,4,6-triiodobenzoyl]amino]phenyl]methyl]butanoic acid hydrochloride
| Molecular Formula | C21H23ClI3N3O3 |
|---|---|
| Molecular Weight | 780.86 g/mol |
| LogP | 6.05 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 780.8562 |
| Heavy Atoms | 31 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 22708-50-5 |
|---|---|
| SMILES | CCC(CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(C=C2I)I)N=CN(C)C)I)C(=O)O.Cl |
| InChIKey | WRCVUKGOXHUTDZ-UHFFFAOYSA-N |
Product Overview
C21H22I3N3O3.ClH (CAS 22708-50-5), with molecular formula C21H23ClI3N3O3 and molecular weight 780.86 g/mol. IUPAC: 2-[[3-[[3-(dimethylaminomethylideneamino)-2,4,6-triiodobenzoyl]amino]phenyl]methyl]butanoic acid;hydrochloride.
Chemical Property Profile of C21H22I3N3O3.ClH
Property Insights of C21H22I3N3O3.ClH
The XLogP value of 6.05 indicates that C21H22I3N3O3.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H22I3N3O3.ClH. Following Lipinski's Rule of Five, C21H22I3N3O3.ClH has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C21H22I3N3O3.ClH?
The CAS number of C21H22I3N3O3.ClH is 22708-50-5.
What is the molecular formula of C21H22I3N3O3.ClH?
The molecular formula of C21H22I3N3O3.ClH is C21H23ClI3N3O3.
What is the molecular weight of C21H22I3N3O3.ClH?
The molecular weight of C21H22I3N3O3.ClH is 780.86 g/mol.
Where can I buy C21H22I3N3O3.ClH?
You can request a quote for C21H22I3N3O3.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H22I3N3O3.ClH?
Yes, KEHONG BIO provides custom synthesis services for C21H22I3N3O3.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.