BAS 12521558
TL;DR: BAS 12521558 (CAS 876900-21-9) is a chemical compound with molecular formula C19H20ClN5O2 and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-chloro-2-methylphenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: BAS 12521558, F2013-0629, 9-(3-chloro-2-methylphenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 3-allyl-9-(3-chloro-2-methylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-(3-chloro-2-methylphenyl)-1-methyl-3-prop-2-enyl-1,3,5-trihydro-6H,7H,8H-1,3 -diazaperhydroino[1,2-h]purine-2,4-dione
| Molecular Formula | C19H20ClN5O2 |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 2.58632 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.13055 |
| Heavy Atoms | 27 |
| Complexity | 1187.4989 |
Chemical Identifiers
| CAS Number | 876900-21-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC=C |
Product Overview
BAS 12521558 (CAS 876900-21-9), with molecular formula C19H20ClN5O2 and molecular weight 385.13 g/mol. IUPAC: 9-(3-chloro-2-methylphenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of BAS 12521558
Property Insights of BAS 12521558
The XLogP value of 2.58632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12521558. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12521558. Following Lipinski's Rule of Five, BAS 12521558 has 0 hydrogen bond donor(s) and 4 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 12521558?
The CAS number of BAS 12521558 is 876900-21-9.
What is the molecular formula of BAS 12521558?
The molecular formula of BAS 12521558 is C19H20ClN5O2.
What is the molecular weight of BAS 12521558?
The molecular weight of BAS 12521558 is 385.13 g/mol.
Where can I buy BAS 12521558?
You can request a quote for BAS 12521558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12521558?
Yes, KEHONG BIO provides custom synthesis services for BAS 12521558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.