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Bunamiodyl [MI]
TL;DR: Bunamiodyl [MI] (CAS 1233-53-0) is a chemical compound with molecular formula C15H16I3NO3 and molecular weight 638.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methylidene]butanoic acid
Also Known As: Buniodyl, BUNAMIODYL [MI], BUNAMIODYL [INN], BUNAMIODYL [WHO-DD], 2-(3-Butyramido-3,4,6-triiodophenylmethylene)butyric acid
| Molecular Formula | C15H16I3NO3 |
|---|---|
| Molecular Weight | 638.83 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 638.8264 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 1233-53-0 |
|---|---|
| SMILES | CCCC(=O)NC1=C(C=C(C(=C1I)C=C(CC)C(=O)O)I)I |
| InChIKey | CWRBDUIQDIHWJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bunamiodyl [MI] (CAS 1233-53-0), with molecular formula C15H16I3NO3 and molecular weight 638.83 g/mol. IUPAC: 2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methylidene]butanoic acid.
Chemical Property Profile of Bunamiodyl [MI]
Property Insights of Bunamiodyl [MI]
The XLogP value of 4.6 indicates that Bunamiodyl [MI] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Bunamiodyl [MI]. Following Lipinski's Rule of Five, Bunamiodyl [MI] has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bunamiodyl [MI]?
The CAS number of Bunamiodyl [MI] is 1233-53-0.
What is the molecular formula of Bunamiodyl [MI]?
The molecular formula of Bunamiodyl [MI] is C15H16I3NO3.
What is the molecular weight of Bunamiodyl [MI]?
The molecular weight of Bunamiodyl [MI] is 638.83 g/mol.
Where can I buy Bunamiodyl [MI]?
You can request a quote for Bunamiodyl [MI] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bunamiodyl [MI]?
Yes, KEHONG BIO provides custom synthesis services for Bunamiodyl [MI] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.