ChemDiv2_002121
TL;DR: ChemDiv2_002121 (CAS 195190-68-2) is a chemical compound with molecular formula C16H13ClN4O3 and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-5-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Also Known As: ChemDiv2_002121, BAS 00666600, AB00074116-01, A1172/0054483, 7-amino-5-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
| Molecular Formula | C16H13ClN4O3 |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 0.95558 |
| Topological Polar Surface Area | 103.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.06763 |
| Heavy Atoms | 24 |
| Complexity | 1025.5039 |
Chemical Identifiers
| CAS Number | 195190-68-2 |
|---|---|
| SMILES | CN1C2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Cl)C(=O)N(C1=O)C |
Product Overview
ChemDiv2_002121 (CAS 195190-68-2), with molecular formula C16H13ClN4O3 and molecular weight 344.07 g/mol. IUPAC: 7-amino-5-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile.
Chemical Property Profile of ChemDiv2_002121
Property Insights of ChemDiv2_002121
The XLogP value of 0.95558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_002121. The TPSA of 103.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_002121. Following Lipinski's Rule of Five, ChemDiv2_002121 has 1 hydrogen bond donor(s) and 5 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 ChemDiv2_002121?
The CAS number of ChemDiv2_002121 is 195190-68-2.
What is the molecular formula of ChemDiv2_002121?
The molecular formula of ChemDiv2_002121 is C16H13ClN4O3.
What is the molecular weight of ChemDiv2_002121?
The molecular weight of ChemDiv2_002121 is 344.07 g/mol.
Where can I buy ChemDiv2_002121?
You can request a quote for ChemDiv2_002121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_002121?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_002121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.