ChemDiv3_009888
TL;DR: ChemDiv3_009888 (CAS 847381-13-9) is a chemical compound with molecular formula C20H29N3O2S2 and molecular weight 407.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-methylbenzenesulfonamide
Also Known As: ChemDiv3_009888, IDI1_027798, F0655-0785, N-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)-4-methylbenzenesulfonamide, N-[1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]-4-methylbenzene-1-sulfonamide
| Molecular Formula | C20H29N3O2S2 |
|---|---|
| Molecular Weight | 407.17 g/mol |
| LogP | 3.10212 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.1701 |
| Heavy Atoms | 27 |
| Complexity | 811.4215 |
Chemical Identifiers
| CAS Number | 847381-13-9 |
|---|---|
| SMILES | CCN1CCN(CC1)C(C2=CC=CS2)C(C)NS(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
ChemDiv3_009888 (CAS 847381-13-9), with molecular formula C20H29N3O2S2 and molecular weight 407.17 g/mol. IUPAC: N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-methylbenzenesulfonamide.
Chemical Property Profile of ChemDiv3_009888
Property Insights of ChemDiv3_009888
The XLogP value of 3.10212 indicates that ChemDiv3_009888 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, ChemDiv3_009888 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_009888 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 ChemDiv3_009888?
The CAS number of ChemDiv3_009888 is 847381-13-9.
What is the molecular formula of ChemDiv3_009888?
The molecular formula of ChemDiv3_009888 is C20H29N3O2S2.
What is the molecular weight of ChemDiv3_009888?
The molecular weight of ChemDiv3_009888 is 407.17 g/mol.
Where can I buy ChemDiv3_009888?
You can request a quote for ChemDiv3_009888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009888?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.