RefChem:1096728
TL;DR: RefChem:1096728 (CAS 5153-73-1) is a chemical compound with molecular formula C15H26N2O4 and molecular weight 298.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;propane-1,3-diol
Also Known As: Polypropylene glycol, isophorone diisocyanate polymer, (C12-H18-N2-O2.(C3H6-O)mult-H2-O)x-, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;propane-1,3-diol, Polypropylene glycol, 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate polymer, propane-1,3-diol- 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane(1:1)
| Molecular Formula | C15H26N2O4 |
|---|---|
| Molecular Weight | 298.19 g/mol |
| LogP | 1.6041 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.18927 |
| Heavy Atoms | 21 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 5153-73-1 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C(CO)CO |
| InChIKey | FXQJGIVHZAPZJM-UHFFFAOYSA-N |
Product Overview
RefChem:1096728 (CAS 5153-73-1), with molecular formula C15H26N2O4 and molecular weight 298.19 g/mol. IUPAC: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;propane-1,3-diol.
Chemical Property Profile of RefChem:1096728
Property Insights of RefChem:1096728
The XLogP value of 1.6041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1096728. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1096728. Following Lipinski's Rule of Five, RefChem:1096728 has 2 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 RefChem:1096728?
The CAS number of RefChem:1096728 is 5153-73-1.
What is the molecular formula of RefChem:1096728?
The molecular formula of RefChem:1096728 is C15H26N2O4.
What is the molecular weight of RefChem:1096728?
The molecular weight of RefChem:1096728 is 298.19 g/mol.
Where can I buy RefChem:1096728?
You can request a quote for RefChem:1096728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096728?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.