1,3-二羟甲基-5,5-二甲基海因
TL;DR: 1,3-二羟甲基-5,5-二甲基海因 (CAS 6440-58-0) is a chemical compound with molecular formula C7H12N2O4 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二羟甲基-5,5-二甲基海因
1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione
Also Known As: DMDM Hydantoin, Dmdmh, Glydant, Dimethyloldimethyl hydantoin, 1,3-Bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione
| Molecular Formula | C7H12N2O4 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.07971 |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
| Melting Point | 90 °C /OECD Guideline 102/ |
| Boiling Point | 198-200 °C, decomposes with boiling |
| Density | 0.4 g/cu cm at 21 °C /OECD Guideline 109/ |
| Solubility | In water, 77.3 g/100 cc |
| Vapor Pressure | 0.00000009 [mmHg] |
Chemical Identifiers
| CAS Number | 6440-58-0 |
|---|---|
| SMILES | CC1(C(=O)N(C(=O)N1CO)CO)C |
| InChIKey | WSDISUOETYTPRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-二羟甲基-5,5-二甲基海因 (CAS 6440-58-0), with molecular formula C7H12N2O4 and molecular weight 188.08 g/mol. IUPAC: 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione.
Chemical Property Profile of 1,3-二羟甲基-5,5-二甲基海因
Property Insights of 1,3-二羟甲基-5,5-二甲基海因
The XLogP value of -0.2 indicates that 1,3-二羟甲基-5,5-二甲基海因 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-二羟甲基-5,5-二甲基海因. Following Lipinski's Rule of Five, 1,3-二羟甲基-5,5-二甲基海因 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 1,3-二羟甲基-5,5-二甲基海因?
The CAS number of 1,3-二羟甲基-5,5-二甲基海因 is 6440-58-0.
What is the molecular formula of 1,3-二羟甲基-5,5-二甲基海因?
The molecular formula of 1,3-二羟甲基-5,5-二甲基海因 is C7H12N2O4.
What is the molecular weight of 1,3-二羟甲基-5,5-二甲基海因?
The molecular weight of 1,3-二羟甲基-5,5-二甲基海因 is 188.08 g/mol.
Where can I buy 1,3-二羟甲基-5,5-二甲基海因?
You can request a quote for 1,3-二羟甲基-5,5-二甲基海因 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二羟甲基-5,5-二甲基海因?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二羟甲基-5,5-二甲基海因 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.