Dasantafil
TL;DR: Dasantafil (CAS 569351-91-3) is a chemical compound with molecular formula C22H28BrN5O5 and molecular weight 521.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)purine-2,6-dione
Also Known As: Dasantafil, 7-(3-Bromo-4-methoxybenzyl)-1-ethyl-8-(((1R,2R)-2-hydroxycyclopentyl)amino)-3-(2-hydroxyethyl)-3,7-dihydro-1H-purine-2,6-dione, 1-ETHYL-3,7-DIHYDRO-8-[(1R,2R)-(HYDROXYCYCLOPENTYL)AMINO]-3-(2-HYDROXYETHYL)-7-[(3-BROMO-4-METHOXYPHENYL)METHYL]-1H-PURINE-2,6-DIONE, 7-[(3-Bromo-4-methoxyphenyl)methyl]-1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)-3,7-dihydro-1H-purine-2,6-dione, 7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)purine-2,6-dione
| Molecular Formula | C22H28BrN5O5 |
|---|---|
| Molecular Weight | 521.13 g/mol |
| LogP | 1.5166 |
| Topological Polar Surface Area | 123.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.1274 |
| Heavy Atoms | 33 |
| Complexity | 1280.888 |
Chemical Identifiers
| CAS Number | 569351-91-3 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)NC4CCCC4O)N(C1=O)CCO |
Product Overview
Dasantafil (CAS 569351-91-3), with molecular formula C22H28BrN5O5 and molecular weight 521.13 g/mol. IUPAC: 7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-8-[(2-hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)purine-2,6-dione.
Chemical Property Profile of Dasantafil
Property Insights of Dasantafil
The XLogP value of 1.5166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dasantafil. The TPSA of 123.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Dasantafil. Following Lipinski's Rule of Five, Dasantafil has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dasantafil?
The CAS number of Dasantafil is 569351-91-3.
What is the molecular formula of Dasantafil?
The molecular formula of Dasantafil is C22H28BrN5O5.
What is the molecular weight of Dasantafil?
The molecular weight of Dasantafil is 521.13 g/mol.
Where can I buy Dasantafil?
You can request a quote for Dasantafil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dasantafil?
Yes, KEHONG BIO provides custom synthesis services for Dasantafil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.