MixCom6_000179
TL;DR: MixCom6_000179 (CAS 451500-56-4) is a chemical compound with molecular formula C27H30FN3O4S and molecular weight 511.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(2-ethoxyphenyl)-2-fluorobenzamide
Also Known As: MixCom6_000179, ChemDiv1_016019, F0917-2883, 5-((4-(2,3-dimethylphenyl)piperazin-1-yl)sulfonyl)-N-(2-ethoxyphenyl)-2-fluorobenzamide, 5-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-N-(2-ethoxyphenyl)-2-fluorobenzamide
| Molecular Formula | C27H30FN3O4S |
|---|---|
| Molecular Weight | 511.19 g/mol |
| LogP | 4.60444 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 511.1941 |
| Heavy Atoms | 36 |
| Complexity | 1369.1818 |
Chemical Identifiers
| CAS Number | 451500-56-4 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)F |
Product Overview
MixCom6_000179 (CAS 451500-56-4), with molecular formula C27H30FN3O4S and molecular weight 511.19 g/mol. IUPAC: 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(2-ethoxyphenyl)-2-fluorobenzamide.
Chemical Property Profile of MixCom6_000179
Property Insights of MixCom6_000179
The XLogP value of 4.60444 indicates that MixCom6_000179 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_000179. Following Lipinski's Rule of Five, MixCom6_000179 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MixCom6_000179?
The CAS number of MixCom6_000179 is 451500-56-4.
What is the molecular formula of MixCom6_000179?
The molecular formula of MixCom6_000179 is C27H30FN3O4S.
What is the molecular weight of MixCom6_000179?
The molecular weight of MixCom6_000179 is 511.19 g/mol.
Where can I buy MixCom6_000179?
You can request a quote for MixCom6_000179 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_000179?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_000179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.