5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione
TL;DR: 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione (CAS 313376-79-3) is a chemical compound with molecular formula C18H13ClN4O6 and molecular weight 416.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1,3-bis[(4-nitrophenyl)methyl]pyrimidine-2,4-dione
Also Known As: 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione, 5-chloro-1,3-bis[(4-nitrophenyl)methyl]pyrimidine-2,4-dione, 5-CHLORO-1,3-BIS[(4-NITROPHENYL)METHYL]-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE
| Molecular Formula | C18H13ClN4O6 |
|---|---|
| Molecular Weight | 416.05 g/mol |
| LogP | 2.5764 |
| Topological Polar Surface Area | 130.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.05237 |
| Heavy Atoms | 29 |
| Complexity | 1199.0063 |
Chemical Identifiers
| CAS Number | 313376-79-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=C(C(=O)N(C2=O)CC3=CC=C(C=C3)[N+](=O)[O-])Cl)[N+](=O)[O-] |
Product Overview
5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione (CAS 313376-79-3), with molecular formula C18H13ClN4O6 and molecular weight 416.05 g/mol. IUPAC: 5-chloro-1,3-bis[(4-nitrophenyl)methyl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione
Property Insights of 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione
The XLogP value of 2.5764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione. The TPSA of 130.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione has 0 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 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione is 313376-79-3.
What is the molecular formula of 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione is C18H13ClN4O6.
What is the molecular weight of 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione is 416.05 g/mol.
Where can I buy 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-1,3-bis(4-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.