C172-0206
TL;DR: C172-0206 (CAS 892258-91-2) is a chemical compound with molecular formula C20H21ClN4O3S and molecular weight 432.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
Also Known As: C172-0206, F0921-5501, 3-[4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione, 3-(4-(4-(4-chlorophenyl)piperazin-1-yl)-4-oxobutyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, 3-{4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
| Molecular Formula | C20H21ClN4O3S |
|---|---|
| Molecular Weight | 432.10 g/mol |
| LogP | 2.5337 |
| Topological Polar Surface Area | 78.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.1023 |
| Heavy Atoms | 29 |
| Complexity | 1127.0741 |
Chemical Identifiers
| CAS Number | 892258-91-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CCCN3C(=O)C4=C(C=CS4)NC3=O |
Product Overview
C172-0206 (CAS 892258-91-2), with molecular formula C20H21ClN4O3S and molecular weight 432.10 g/mol. IUPAC: 3-[4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.
Chemical Property Profile of C172-0206
Property Insights of C172-0206
The XLogP value of 2.5337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C172-0206. The TPSA of 78.41 Ų falls within the moderate polarity range, balancing permeability and solubility for C172-0206. Following Lipinski's Rule of Five, C172-0206 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 C172-0206?
The CAS number of C172-0206 is 892258-91-2.
What is the molecular formula of C172-0206?
The molecular formula of C172-0206 is C20H21ClN4O3S.
What is the molecular weight of C172-0206?
The molecular weight of C172-0206 is 432.10 g/mol.
Where can I buy C172-0206?
You can request a quote for C172-0206 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C172-0206?
Yes, KEHONG BIO provides custom synthesis services for C172-0206 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.