D 1961
TL;DR: D 1961 (CAS 62933-78-2) is a chemical compound with molecular formula C19H26ClN5O4 and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: D 1961, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-((2-(4-hydroxyphenyl)-1-methylethyl)amino)propyl)-, monohydrochloride, 7-(2-Hydroxy-3-{[1-(4-hydroxyphenyl)propan-2-yl]amino}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1), 7-[2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride
| Molecular Formula | C19H26ClN5O4 |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 0.1428 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.16733 |
| Heavy Atoms | 29 |
| Complexity | 1086.9031 |
Chemical Identifiers
| CAS Number | 62933-78-2 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)O)NCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O.Cl |
Product Overview
D 1961 (CAS 62933-78-2), with molecular formula C19H26ClN5O4 and molecular weight 423.17 g/mol. IUPAC: 7-[2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of D 1961
Property Insights of D 1961
The XLogP value of 0.1428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D 1961. The TPSA of 114.31 Ų falls within the moderate polarity range, balancing permeability and solubility for D 1961. Following Lipinski's Rule of Five, D 1961 has 3 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 D 1961?
The CAS number of D 1961 is 62933-78-2.
What is the molecular formula of D 1961?
The molecular formula of D 1961 is C19H26ClN5O4.
What is the molecular weight of D 1961?
The molecular weight of D 1961 is 423.17 g/mol.
Where can I buy D 1961?
You can request a quote for D 1961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D 1961?
Yes, KEHONG BIO provides custom synthesis services for D 1961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.