BAS 12662553
TL;DR: BAS 12662553 (CAS 876670-95-0) is a chemical compound with molecular formula C18H19N5O4 and molecular weight 369.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(furan-2-ylmethyl)-4,7-dimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12662553, F2583-0186, 6-(furan-2-ylmethyl)-4,7-dimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione, 8-(furan-2-ylmethyl)-1,7-dimethyl-3-(3-oxobutan-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C18H19N5O4 |
|---|---|
| Molecular Weight | 369.14 g/mol |
| LogP | 1.24912 |
| Topological Polar Surface Area | 96.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.1437 |
| Heavy Atoms | 27 |
| Complexity | 1299.9567 |
Chemical Identifiers
| CAS Number | 876670-95-0 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1CC4=CC=CO4)N(C(=O)N(C3=O)C(C)C(=O)C)C |
Product Overview
BAS 12662553 (CAS 876670-95-0), with molecular formula C18H19N5O4 and molecular weight 369.14 g/mol. IUPAC: 6-(furan-2-ylmethyl)-4,7-dimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12662553
Property Insights of BAS 12662553
The XLogP value of 1.24912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12662553. The TPSA of 96.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12662553. Following Lipinski's Rule of Five, BAS 12662553 has 0 hydrogen bond donor(s) and 5 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 BAS 12662553?
The CAS number of BAS 12662553 is 876670-95-0.
What is the molecular formula of BAS 12662553?
The molecular formula of BAS 12662553 is C18H19N5O4.
What is the molecular weight of BAS 12662553?
The molecular weight of BAS 12662553 is 369.14 g/mol.
Where can I buy BAS 12662553?
You can request a quote for BAS 12662553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12662553?
Yes, KEHONG BIO provides custom synthesis services for BAS 12662553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.