![6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione structure](/static/products/7354/73541-71-6.webp)
6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione
TL;DR: 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione (CAS 73541-71-6) is a chemical compound with molecular formula C11H10ClN3O2 and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chloroanilino)methyl]-1H-pyrimidine-2,4-dione
Also Known As: 6-[(4-chloroanilino)methyl]-1H-pyrimidine-2,4-dione, 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione, AI-204/31696049, 6-[(4-Chloroanilino)methyl]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C11H10ClN3O2 |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.04616 |
| Heavy Atoms | 17 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 73541-71-6 |
|---|---|
| SMILES | C1=CC(=CC=C1NCC2=CC(=O)NC(=O)N2)Cl |
| InChIKey | IYDXWCLYTJTXKJ-UHFFFAOYSA-N |
Product Overview
6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione (CAS 73541-71-6), with molecular formula C11H10ClN3O2 and molecular weight 251.05 g/mol. IUPAC: 6-[(4-chloroanilino)methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione
Property Insights of 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione 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 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione?
The CAS number of 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione is 73541-71-6.
What is the molecular formula of 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione is C11H10ClN3O2.
What is the molecular weight of 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione is 251.05 g/mol.
Where can I buy 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 6-[(4-chloroanilino)methyl]-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.