MixCom6_000198
TL;DR: MixCom6_000198 (CAS 450386-52-4) is a chemical compound with molecular formula C24H22N2O4S and molecular weight 434.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(7-ethoxy-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)benzoate
Also Known As: MixCom6_000198, ChemDiv1_016038, F0913-4976, methyl 4-[10-ethoxy-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraen-7-yl]benzoate, methyl 4-(7-ethoxy-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)benzoate
| Molecular Formula | C24H22N2O4S |
|---|---|
| Molecular Weight | 434.13 g/mol |
| LogP | 5.1757 |
| Topological Polar Surface Area | 60.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.13004 |
| Heavy Atoms | 31 |
| Complexity | 1124.9908 |
Chemical Identifiers
| CAS Number | 450386-52-4 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1OC(N3C2CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)C(=O)OC |
Product Overview
MixCom6_000198 (CAS 450386-52-4), with molecular formula C24H22N2O4S and molecular weight 434.13 g/mol. IUPAC: methyl 4-(7-ethoxy-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)benzoate.
Chemical Property Profile of MixCom6_000198
Property Insights of MixCom6_000198
The XLogP value of 5.1757 indicates that MixCom6_000198 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.36 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_000198. Following Lipinski's Rule of Five, MixCom6_000198 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MixCom6_000198?
The CAS number of MixCom6_000198 is 450386-52-4.
What is the molecular formula of MixCom6_000198?
The molecular formula of MixCom6_000198 is C24H22N2O4S.
What is the molecular weight of MixCom6_000198?
The molecular weight of MixCom6_000198 is 434.13 g/mol.
Where can I buy MixCom6_000198?
You can request a quote for MixCom6_000198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_000198?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_000198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.