MixCom6_002243
TL;DR: MixCom6_002243 (CAS 302804-33-7) is a chemical compound with molecular formula C22H21NO6S2 and molecular weight 459.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
Also Known As: MixCom6_002243, VU0424117-1, 2-({1-[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)benzoic acid, 2-[1-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid, 2-[3-(2-Carboxy-phenylsulfanyl)-2,5-dioxo-pyrrolidin-1-yl]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
| Molecular Formula | C22H21NO6S2 |
|---|---|
| Molecular Weight | 459.08 g/mol |
| LogP | 3.926 |
| Topological Polar Surface Area | 100.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.08102 |
| Heavy Atoms | 31 |
| Complexity | 1075.9486 |
Chemical Identifiers
| CAS Number | 302804-33-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)CC(C3=O)SC4=CC=CC=C4C(=O)O |
Product Overview
MixCom6_002243 (CAS 302804-33-7), with molecular formula C22H21NO6S2 and molecular weight 459.08 g/mol. IUPAC: 2-[1-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid.
Chemical Property Profile of MixCom6_002243
Property Insights of MixCom6_002243
The XLogP value of 3.926 indicates that MixCom6_002243 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.98 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002243. Following Lipinski's Rule of Five, MixCom6_002243 has 1 hydrogen bond donor(s) and 7 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 MixCom6_002243?
The CAS number of MixCom6_002243 is 302804-33-7.
What is the molecular formula of MixCom6_002243?
The molecular formula of MixCom6_002243 is C22H21NO6S2.
What is the molecular weight of MixCom6_002243?
The molecular weight of MixCom6_002243 is 459.08 g/mol.
Where can I buy MixCom6_002243?
You can request a quote for MixCom6_002243 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002243?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002243 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.