MixCom6_000001
TL;DR: MixCom6_000001 (CAS 451500-23-5) 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.
2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide
Also Known As: MixCom6_000001, ChemDiv1_015841, VU0488853-1, F0917-2849, 2-fluoro-N-(2-methoxy-5-methylphenyl)-5-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}benzamide
| Molecular Formula | C27H30FN3O4S |
|---|---|
| Molecular Weight | 511.19 g/mol |
| LogP | 4.60284 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.1941 |
| Heavy Atoms | 36 |
| Complexity | 1393.5162 |
Chemical Identifiers
| CAS Number | 451500-23-5 |
|---|---|
| SMILES | CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=C(C=CC(=C4)C)OC |
Product Overview
MixCom6_000001 (CAS 451500-23-5), with molecular formula C27H30FN3O4S and molecular weight 511.19 g/mol. IUPAC: 2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide.
Chemical Property Profile of MixCom6_000001
Property Insights of MixCom6_000001
The XLogP value of 4.60284 indicates that MixCom6_000001 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_000001. Following Lipinski's Rule of Five, MixCom6_000001 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_000001?
The CAS number of MixCom6_000001 is 451500-23-5.
What is the molecular formula of MixCom6_000001?
The molecular formula of MixCom6_000001 is C27H30FN3O4S.
What is the molecular weight of MixCom6_000001?
The molecular weight of MixCom6_000001 is 511.19 g/mol.
Where can I buy MixCom6_000001?
You can request a quote for MixCom6_000001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_000001?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_000001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.