CTK1H3131
TL;DR: CTK1H3131 (CAS 5948-16-3) is a chemical compound with molecular formula C21H25Cl2N5O3S and molecular weight 497.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-(3,4-dichlorophenyl)-1-propan-2-ylurea
Also Known As: a-nor-2,20(29)-lupadiene-27,28-dioic acid, 1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-(3,4-dichlorophenyl)-1-propan-2-yl-urea, N-{[4-(4-Acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl}-N'-(3,4-dichlorophenyl)-N-propan-2-ylurea, 1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-(3,4-dichlorophenyl)-1-propan-2-ylurea, N-{[4-(4-Acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl}-N'-(3,4-dichlorophenyl)-N-(propan-2-yl)urea
| Molecular Formula | C21H25Cl2N5O3S |
|---|---|
| Molecular Weight | 497.11 g/mol |
| LogP | 4.1967 |
| Topological Polar Surface Area | 85.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.10553 |
| Heavy Atoms | 32 |
| Complexity | 1005.07135 |
Chemical Identifiers
| CAS Number | 5948-16-3 |
|---|---|
| SMILES | CC(C)N(CC1=NC(=CS1)C(=O)N2CCN(CC2)C(=O)C)C(=O)NC3=CC(=C(C=C3)Cl)Cl |
Product Overview
CTK1H3131 (CAS 5948-16-3), with molecular formula C21H25Cl2N5O3S and molecular weight 497.11 g/mol. IUPAC: 1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-(3,4-dichlorophenyl)-1-propan-2-ylurea.
Chemical Property Profile of CTK1H3131
Property Insights of CTK1H3131
The XLogP value of 4.1967 indicates that CTK1H3131 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.85 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK1H3131. Following Lipinski's Rule of Five, CTK1H3131 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 CTK1H3131?
The CAS number of CTK1H3131 is 5948-16-3.
What is the molecular formula of CTK1H3131?
The molecular formula of CTK1H3131 is C21H25Cl2N5O3S.
What is the molecular weight of CTK1H3131?
The molecular weight of CTK1H3131 is 497.11 g/mol.
Where can I buy CTK1H3131?
You can request a quote for CTK1H3131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK1H3131?
Yes, KEHONG BIO provides custom synthesis services for CTK1H3131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.