BAS 12521547
TL;DR: BAS 12521547 (CAS 876900-07-1) is a chemical compound with molecular formula C18H18ClN5O4 and molecular weight 403.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[9-(3-chlorophenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
Also Known As: BAS 12521547, UPCMLD0ENAT5732489:001, F2013-0556, methyl 2-(9-(3-chlorophenyl)-1-methyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate, methyl 2-[9-(3-chlorophenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
| Molecular Formula | C18H18ClN5O4 |
|---|---|
| Molecular Weight | 403.10 g/mol |
| LogP | 1.2649 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.10474 |
| Heavy Atoms | 28 |
| Complexity | 1209.132 |
Chemical Identifiers
| CAS Number | 876900-07-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N3CCCN(C3=N2)C4=CC(=CC=C4)Cl |
Product Overview
BAS 12521547 (CAS 876900-07-1), with molecular formula C18H18ClN5O4 and molecular weight 403.10 g/mol. IUPAC: methyl 2-[9-(3-chlorophenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate.
Chemical Property Profile of BAS 12521547
Property Insights of BAS 12521547
The XLogP value of 1.2649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12521547. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12521547. Following Lipinski's Rule of Five, BAS 12521547 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 BAS 12521547?
The CAS number of BAS 12521547 is 876900-07-1.
What is the molecular formula of BAS 12521547?
The molecular formula of BAS 12521547 is C18H18ClN5O4.
What is the molecular weight of BAS 12521547?
The molecular weight of BAS 12521547 is 403.10 g/mol.
Where can I buy BAS 12521547?
You can request a quote for BAS 12521547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12521547?
Yes, KEHONG BIO provides custom synthesis services for BAS 12521547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.