BAS 12521648
TL;DR: BAS 12521648 (CAS 876900-82-2) 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-chlorophenyl)-1,7-dimethyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: BAS 12521648, UPCMLD0ENAT5867601:001, F2013-0749, 9-(3-chlorophenyl)-1,7-dimethyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 3-allyl-9-(3-chlorophenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
| Molecular Formula | C19H20ClN5O2 |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 2.5239 |
| 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 | 1173.2823 |
Chemical Identifiers
| CAS Number | 876900-82-2 |
|---|---|
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC=C)C4=CC(=CC=C4)Cl |
Product Overview
BAS 12521648 (CAS 876900-82-2), with molecular formula C19H20ClN5O2 and molecular weight 385.13 g/mol. IUPAC: 9-(3-chlorophenyl)-1,7-dimethyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of BAS 12521648
Property Insights of BAS 12521648
The XLogP value of 2.5239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12521648. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12521648. Following Lipinski's Rule of Five, BAS 12521648 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 12521648?
The CAS number of BAS 12521648 is 876900-82-2.
What is the molecular formula of BAS 12521648?
The molecular formula of BAS 12521648 is C19H20ClN5O2.
What is the molecular weight of BAS 12521648?
The molecular weight of BAS 12521648 is 385.13 g/mol.
Where can I buy BAS 12521648?
You can request a quote for BAS 12521648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12521648?
Yes, KEHONG BIO provides custom synthesis services for BAS 12521648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.