Thyminalkamine
TL;DR: Thyminalkamine (CAS 6860-12-4) is a chemical compound with molecular formula C9H14Cl3N3O2 and molecular weight 301.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[bis(2-chloroethyl)aminomethyl]-1H-pyrimidine-2,4-dione;hydrochloride
Also Known As: Thyminalkamine, Ypenyl, Thyminalkylamine, Uracil, hydrochloride, 5-Bis(2-chloroethyl)aminomethyluracil
| Molecular Formula | C9H14Cl3N3O2 |
|---|---|
| Molecular Weight | 301.02 g/mol |
| LogP | 0.7646 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.01517 |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 6860-12-4 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)CN(CCCl)CCCl.Cl |
| InChIKey | RFKFEUGUPZHBKZ-UHFFFAOYSA-N |
Product Overview
Thyminalkamine (CAS 6860-12-4), with molecular formula C9H14Cl3N3O2 and molecular weight 301.02 g/mol. IUPAC: 5-[bis(2-chloroethyl)aminomethyl]-1H-pyrimidine-2,4-dione;hydrochloride.
Chemical Property Profile of Thyminalkamine
Property Insights of Thyminalkamine
The XLogP value of 0.7646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thyminalkamine. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Thyminalkamine. Following Lipinski's Rule of Five, Thyminalkamine has 3 hydrogen bond donor(s) and 3 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 Thyminalkamine?
The CAS number of Thyminalkamine is 6860-12-4.
What is the molecular formula of Thyminalkamine?
The molecular formula of Thyminalkamine is C9H14Cl3N3O2.
What is the molecular weight of Thyminalkamine?
The molecular weight of Thyminalkamine is 301.02 g/mol.
Where can I buy Thyminalkamine?
You can request a quote for Thyminalkamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thyminalkamine?
Yes, KEHONG BIO provides custom synthesis services for Thyminalkamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.