A3910/0166310
TL;DR: A3910/0166310 (CAS 889949-90-0) is a chemical compound with molecular formula C16H15BrN4O5 and molecular weight 422.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-methoxy-1,3-dimethylpurine-2,6-dione
Also Known As: A3910/0166310, 7-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-methoxy-1,3-dimethylpurine-2,6-dione, 7-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-3,7-dihydro-8-methoxy-1,3-dimethyl-1H-purine-2,6-dione, 7-((6-bromobenzo[d][1,3]dioxol-5-yl)methyl)-8-methoxy-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C16H15BrN4O5 |
|---|---|
| Molecular Weight | 422.02 g/mol |
| LogP | 0.9818 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.02258 |
| Heavy Atoms | 26 |
| Complexity | 1160.3723 |
Chemical Identifiers
| CAS Number | 889949-90-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC)CC3=CC4=C(C=C3Br)OCO4 |
Product Overview
A3910/0166310 (CAS 889949-90-0), with molecular formula C16H15BrN4O5 and molecular weight 422.02 g/mol. IUPAC: 7-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-methoxy-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of A3910/0166310
Property Insights of A3910/0166310
The XLogP value of 0.9818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3910/0166310. The TPSA of 89.51 Ų falls within the moderate polarity range, balancing permeability and solubility for A3910/0166310. Following Lipinski's Rule of Five, A3910/0166310 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 A3910/0166310?
The CAS number of A3910/0166310 is 889949-90-0.
What is the molecular formula of A3910/0166310?
The molecular formula of A3910/0166310 is C16H15BrN4O5.
What is the molecular weight of A3910/0166310?
The molecular weight of A3910/0166310 is 422.02 g/mol.
Where can I buy A3910/0166310?
You can request a quote for A3910/0166310 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3910/0166310?
Yes, KEHONG BIO provides custom synthesis services for A3910/0166310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.