![8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione structure](/static/products/5447/54476-34-5.webp)
8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
TL;DR: 8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 54476-34-5) is a chemical compound with molecular formula C11H15Cl2N5O2 and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[bis(2-chloroethyl)amino]-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 7,9-Dimethyl guanine, NCIOpen2_008136, 8-bis(2-chloroethyl)aminotheophylline, 8-[bis(2-chloroethyl)amino]-1,3-dimethyl-7H-purine-2,6-dione, 8-[bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
| Molecular Formula | C11H15Cl2N5O2 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.06027 |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 54476-34-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N(CCCl)CCCl |
| InChIKey | KHDCLPJLMVSHME-UHFFFAOYSA-N |
Product Overview
8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 54476-34-5), with molecular formula C11H15Cl2N5O2 and molecular weight 319.06 g/mol. IUPAC: 8-[bis(2-chloroethyl)amino]-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
Property Insights of 8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione has 1 hydrogen bond donor(s) and 4 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 8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The CAS number of 8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is 54476-34-5.
What is the molecular formula of 8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular formula of 8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is C11H15Cl2N5O2.
What is the molecular weight of 8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular weight of 8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is 319.06 g/mol.
Where can I buy 8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
You can request a quote for 8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[Bis(2-chloroethyl)amino]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.