C172-0187
TL;DR: C172-0187 (CAS 866349-17-9) is a chemical compound with molecular formula C23H28N4O3S and molecular weight 440.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
Also Known As: C172-0187, F1603-0001, 3-(5-(4-(2,3-dimethylphenyl)piperazin-1-yl)-5-oxopentyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, 3-[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione, 3-{5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
| Molecular Formula | C23H28N4O3S |
|---|---|
| Molecular Weight | 440.19 g/mol |
| LogP | 2.88724 |
| Topological Polar Surface Area | 78.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.1882 |
| Heavy Atoms | 31 |
| Complexity | 1201.4873 |
Chemical Identifiers
| CAS Number | 866349-17-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCCN3C(=O)C4=C(C=CS4)NC3=O)C |
Product Overview
C172-0187 (CAS 866349-17-9), with molecular formula C23H28N4O3S and molecular weight 440.19 g/mol. IUPAC: 3-[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.
Chemical Property Profile of C172-0187
Property Insights of C172-0187
The XLogP value of 2.88724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C172-0187. The TPSA of 78.41 Ų falls within the moderate polarity range, balancing permeability and solubility for C172-0187. Following Lipinski's Rule of Five, C172-0187 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 C172-0187?
The CAS number of C172-0187 is 866349-17-9.
What is the molecular formula of C172-0187?
The molecular formula of C172-0187 is C23H28N4O3S.
What is the molecular weight of C172-0187?
The molecular weight of C172-0187 is 440.19 g/mol.
Where can I buy C172-0187?
You can request a quote for C172-0187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C172-0187?
Yes, KEHONG BIO provides custom synthesis services for C172-0187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.