ChemDiv3_012012
TL;DR: ChemDiv3_012012 (CAS 876899-30-8) is a chemical compound with molecular formula C20H23N5O2 and molecular weight 365.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-1,7-dimethyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: ChemDiv3_012012, BAS 12521436, UPCMLD0ENAT5801434:001, BRD-A23027169-001-01-8, F2013-0399
| Molecular Formula | C20H23N5O2 |
|---|---|
| Molecular Weight | 365.19 g/mol |
| LogP | 1.739 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.18518 |
| Heavy Atoms | 27 |
| Complexity | 1123.2101 |
Chemical Identifiers
| CAS Number | 876899-30-8 |
|---|---|
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC=C)CC4=CC=CC=C4 |
Product Overview
ChemDiv3_012012 (CAS 876899-30-8), with molecular formula C20H23N5O2 and molecular weight 365.19 g/mol. IUPAC: 9-benzyl-1,7-dimethyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of ChemDiv3_012012
Property Insights of ChemDiv3_012012
The XLogP value of 1.739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012012. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012012. Following Lipinski's Rule of Five, ChemDiv3_012012 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 ChemDiv3_012012?
The CAS number of ChemDiv3_012012 is 876899-30-8.
What is the molecular formula of ChemDiv3_012012?
The molecular formula of ChemDiv3_012012 is C20H23N5O2.
What is the molecular weight of ChemDiv3_012012?
The molecular weight of ChemDiv3_012012 is 365.19 g/mol.
Where can I buy ChemDiv3_012012?
You can request a quote for ChemDiv3_012012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012012?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.