LJ 278
TL;DR: LJ 278 (CAS 1703-49-7) is a chemical compound with molecular formula C16H20ClN5O2 and molecular weight 349.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
LJ 278
7-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: Theophylline, 7-(p-(dimethylamino)benzyl)-, hydrochloride, p-Dimethylamino-benzyl theophylline chlorhydrate, p-Dimethylamino-benzyl theophylline chlorhydrate [French], (p-Dimethylamino benzyl)-7 dimethyl-1,3 xanthine chlorhydrate, (p-Dimethylamino benzyl)-7 dimethyl-1,3 xanthine chlorhydrate [French]
| Molecular Formula | C16H20ClN5O2 |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | 0.97 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.13055 |
| Heavy Atoms | 24 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 1703-49-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)N(C)C.Cl |
| InChIKey | OAPNOVIISKMNEZ-UHFFFAOYSA-N |
Product Overview
LJ 278 (CAS 1703-49-7), with molecular formula C16H20ClN5O2 and molecular weight 349.13 g/mol. IUPAC: 7-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of LJ 278
Property Insights of LJ 278
The XLogP value of 0.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LJ 278. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for LJ 278. Following Lipinski's Rule of Five, LJ 278 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 LJ 278?
The CAS number of LJ 278 is 1703-49-7.
What is the molecular formula of LJ 278?
The molecular formula of LJ 278 is C16H20ClN5O2.
What is the molecular weight of LJ 278?
The molecular weight of LJ 278 is 349.13 g/mol.
Where can I buy LJ 278?
You can request a quote for LJ 278 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LJ 278?
Yes, KEHONG BIO provides custom synthesis services for LJ 278 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.