3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione
TL;DR: 3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione (CAS 288154-80-3) is a chemical compound with molecular formula C9H15ClN2O2 and molecular weight 218.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-5-chloro-6-methyl-1,3-diazinane-2,4-dione
Also Known As: 3-tert-butyl-5-chloro-6-methyl-1,3-diazinane-2,4-dione, 3-(tert-butyl)-5-chloro-6-methyl-1,3,5,6-tetrahydropyrimidine-2,4-dione, 3-tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione, 3-tert-butyl-5-chloro-6-methyl-hexahydropyrimidine-2,4-dione, 3-(tert-Butyl)-5-chloro-6-methyldihydropyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C9H15ClN2O2 |
|---|---|
| Molecular Weight | 218.08 g/mol |
| LogP | 1.3326 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.0822 |
| Heavy Atoms | 14 |
| Complexity | 272.47574 |
Chemical Identifiers
| CAS Number | 288154-80-3 |
|---|---|
| SMILES | CC1C(C(=O)N(C(=O)N1)C(C)(C)C)Cl |
Product Overview
3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione (CAS 288154-80-3), with molecular formula C9H15ClN2O2 and molecular weight 218.08 g/mol. IUPAC: 3-tert-butyl-5-chloro-6-methyl-1,3-diazinane-2,4-dione.
Chemical Property Profile of 3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione
Property Insights of 3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione
The XLogP value of 1.3326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione. With a topological polar surface area (TPSA) of 49.41 Ų, 3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione has 1 hydrogen bond donor(s) and 2 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 3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione?
The CAS number of 3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione is 288154-80-3.
What is the molecular formula of 3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione is C9H15ClN2O2.
What is the molecular weight of 3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione is 218.08 g/mol.
Where can I buy 3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 3-Tert-butyl-5-chloro-6-methyldihydro-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 3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.