AE-641/12845498
TL;DR: AE-641/12845498 (CAS 302552-36-9) is a chemical compound with molecular formula C15H12ClN5O5 and molecular weight 377.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]purine-2,6-dione
Also Known As: AE-641/12845498, A2904/0122364, 8-chloro-1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]purine-2,6-dione, 8-chloro-1,3-dimethyl-7-(2-(3-nitrophenyl)-2-oxoethyl)-1H-purine-2,6(3H,7H)-dione, 8-chloro-1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C15H12ClN5O5 |
|---|---|
| Molecular Weight | 377.05 g/mol |
| LogP | 0.8782 |
| Topological Polar Surface Area | 122.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.0527 |
| Heavy Atoms | 26 |
| Complexity | 1189.5808 |
Chemical Identifiers
| CAS Number | 302552-36-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
AE-641/12845498 (CAS 302552-36-9), with molecular formula C15H12ClN5O5 and molecular weight 377.05 g/mol. IUPAC: 8-chloro-1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]purine-2,6-dione.
Chemical Property Profile of AE-641/12845498
Property Insights of AE-641/12845498
The XLogP value of 0.8782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-641/12845498. The TPSA of 122.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/12845498. Following Lipinski's Rule of Five, AE-641/12845498 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 AE-641/12845498?
The CAS number of AE-641/12845498 is 302552-36-9.
What is the molecular formula of AE-641/12845498?
The molecular formula of AE-641/12845498 is C15H12ClN5O5.
What is the molecular weight of AE-641/12845498?
The molecular weight of AE-641/12845498 is 377.05 g/mol.
Where can I buy AE-641/12845498?
You can request a quote for AE-641/12845498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/12845498?
Yes, KEHONG BIO provides custom synthesis services for AE-641/12845498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.