IDMT
TL;DR: IDMT (CAS 36170-25-9) is a chemical compound with molecular formula C20H32Cl2N2O4 and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3,5-bis(morpholin-4-ium-4-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one dichloride
Also Known As: IDMT, 3-Isopropyl-5,7-dimorpholinomethyltropolone dihydrochloride, 5,7-Bis(morpholinomethyl)-2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one dihydrochloride, 2,4,6-Cycloheptatrien-1-one, 5,7-bis(morpholinomethyl)-2-hydroxy-3-isopropyl-, dihydrochloride, 2-hydroxy-3,5-bis(morpholin-4-ium-4-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one;dichloride
| Molecular Formula | C20H32Cl2N2O4 |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | -7.29 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.17392 |
| Heavy Atoms | 28 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 36170-25-9 |
|---|---|
| SMILES | CC(C)C1=CC(=CC(=C(C1=O)O)C[NH+]2CCOCC2)C[NH+]3CCOCC3.[Cl-].[Cl-] |
| InChIKey | IPNDWAYKBVVIBI-UHFFFAOYSA-N |
Product Overview
IDMT (CAS 36170-25-9), with molecular formula C20H32Cl2N2O4 and molecular weight 434.17 g/mol. IUPAC: 2-hydroxy-3,5-bis(morpholin-4-ium-4-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one dichloride.
Chemical Property Profile of IDMT
Property Insights of IDMT
The XLogP value of -7.29 indicates that IDMT is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for IDMT. Following Lipinski's Rule of Five, IDMT has 3 hydrogen bond donor(s) and 6 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 IDMT?
The CAS number of IDMT is 36170-25-9.
What is the molecular formula of IDMT?
The molecular formula of IDMT is C20H32Cl2N2O4.
What is the molecular weight of IDMT?
The molecular weight of IDMT is 434.17 g/mol.
Where can I buy IDMT?
You can request a quote for IDMT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDMT?
Yes, KEHONG BIO provides custom synthesis services for IDMT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.