MixCom6_000082
TL;DR: MixCom6_000082 (CAS 347353-32-6) is a chemical compound with molecular formula C27H35NO6S and molecular weight 501.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(4-acetyloxy-3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: MixCom6_000082, ChemDiv1_015922, 2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ethylthio)ethyl 4-(4-acetoxy-3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethoxy-4-{3-[(2-ethylthioethyl)oxycarbonyl]-2,7,7-trimethyl-5-oxo(4-1,4,6,7, 8-pentahydroquinolyl)}phenyl acetate
| Molecular Formula | C27H35NO6S |
|---|---|
| Molecular Weight | 501.22 g/mol |
| LogP | 4.9109 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 501.2185 |
| Heavy Atoms | 35 |
| Complexity | 1071.4298 |
Chemical Identifiers
| CAS Number | 347353-32-6 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCSCC)C)OC(=O)C |
Product Overview
MixCom6_000082 (CAS 347353-32-6), with molecular formula C27H35NO6S and molecular weight 501.22 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(4-acetyloxy-3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of MixCom6_000082
Property Insights of MixCom6_000082
The XLogP value of 4.9109 indicates that MixCom6_000082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_000082. Following Lipinski's Rule of Five, MixCom6_000082 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MixCom6_000082?
The CAS number of MixCom6_000082 is 347353-32-6.
What is the molecular formula of MixCom6_000082?
The molecular formula of MixCom6_000082 is C27H35NO6S.
What is the molecular weight of MixCom6_000082?
The molecular weight of MixCom6_000082 is 501.22 g/mol.
Where can I buy MixCom6_000082?
You can request a quote for MixCom6_000082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_000082?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_000082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.