ChemDiv1_017213
TL;DR: ChemDiv1_017213 (CAS 452073-57-3) is a chemical compound with molecular formula C26H33N5O2S and molecular weight 479.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
Also Known As: ChemDiv1_017213, F0917-6389, 1-[2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]-4-(4-methoxyphenyl)piperazine, (2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl)(4-(4-methoxyphenyl)piperazin-1-yl)methanone, [2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
| Molecular Formula | C26H33N5O2S |
|---|---|
| Molecular Weight | 479.24 g/mol |
| LogP | 4.51544 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.2355 |
| Heavy Atoms | 34 |
| Complexity | 1176.1143 |
Chemical Identifiers
| CAS Number | 452073-57-3 |
|---|---|
| SMILES | CC1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C)C(=O)N4CCN(CC4)C5=CC=C(C=C5)OC)C |
Product Overview
ChemDiv1_017213 (CAS 452073-57-3), with molecular formula C26H33N5O2S and molecular weight 479.24 g/mol. IUPAC: [2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
Chemical Property Profile of ChemDiv1_017213
Property Insights of ChemDiv1_017213
The XLogP value of 4.51544 indicates that ChemDiv1_017213 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017213. Following Lipinski's Rule of Five, ChemDiv1_017213 has 0 hydrogen bond donor(s) and 7 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 ChemDiv1_017213?
The CAS number of ChemDiv1_017213 is 452073-57-3.
What is the molecular formula of ChemDiv1_017213?
The molecular formula of ChemDiv1_017213 is C26H33N5O2S.
What is the molecular weight of ChemDiv1_017213?
The molecular weight of ChemDiv1_017213 is 479.24 g/mol.
Where can I buy ChemDiv1_017213?
You can request a quote for ChemDiv1_017213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017213?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.