5-HT2B antagonist-1
TL;DR: 5-HT2B antagonist-1 (CAS 393129-91-4) is a chemical compound with molecular formula C22H28N4O2S2 and molecular weight 444.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
Also Known As: 5-HT2B antagonist-1, 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine, 4-(4-((4-(tert-Butyl)phenyl)sulfonyl)piperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine, 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5,6-dimethyl-thieno[2,3-d]pyrimidine, 4-[4-(4-tert-Butylbenzene-1-sulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
| Molecular Formula | C22H28N4O2S2 |
|---|---|
| Molecular Weight | 444.17 g/mol |
| LogP | 4.11654 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.16537 |
| Heavy Atoms | 30 |
| Complexity | 1170.3082 |
Chemical Identifiers
| CAS Number | 393129-91-4 |
|---|---|
| SMILES | CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C |
Product Overview
5-HT2B antagonist-1 (CAS 393129-91-4), with molecular formula C22H28N4O2S2 and molecular weight 444.17 g/mol. IUPAC: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine.
Chemical Property Profile of 5-HT2B antagonist-1
Property Insights of 5-HT2B antagonist-1
The XLogP value of 4.11654 indicates that 5-HT2B antagonist-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-HT2B antagonist-1. Following Lipinski's Rule of Five, 5-HT2B antagonist-1 has 0 hydrogen bond donor(s) and 6 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 5-HT2B antagonist-1?
The CAS number of 5-HT2B antagonist-1 is 393129-91-4.
What is the molecular formula of 5-HT2B antagonist-1?
The molecular formula of 5-HT2B antagonist-1 is C22H28N4O2S2.
What is the molecular weight of 5-HT2B antagonist-1?
The molecular weight of 5-HT2B antagonist-1 is 444.17 g/mol.
Where can I buy 5-HT2B antagonist-1?
You can request a quote for 5-HT2B antagonist-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-HT2B antagonist-1?
Yes, KEHONG BIO provides custom synthesis services for 5-HT2B antagonist-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.