MixCom6_002027
TL;DR: MixCom6_002027 (CAS 302802-86-4) is a chemical compound with molecular formula C21H18N2O7S and molecular weight 442.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: MixCom6_002027, BIM-0039994.P001, dimethyl 2-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, 3,4-DIMETHYL 2-[2-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)ACETAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3,4-DICARBOXYLATE, dimethyl 2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
| Molecular Formula | C21H18N2O7S |
|---|---|
| Molecular Weight | 442.08 g/mol |
| LogP | 1.9722 |
| Topological Polar Surface Area | 119.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.08347 |
| Heavy Atoms | 31 |
| Complexity | 1101.7432 |
Chemical Identifiers
| CAS Number | 302802-86-4 |
|---|---|
| SMILES | COC(=O)C1CCC2=C1C(=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)OC |
Product Overview
MixCom6_002027 (CAS 302802-86-4), with molecular formula C21H18N2O7S and molecular weight 442.08 g/mol. IUPAC: dimethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of MixCom6_002027
Property Insights of MixCom6_002027
The XLogP value of 1.9722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MixCom6_002027. The TPSA of 119.08 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002027. Following Lipinski's Rule of Five, MixCom6_002027 has 1 hydrogen bond donor(s) and 8 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_002027?
The CAS number of MixCom6_002027 is 302802-86-4.
What is the molecular formula of MixCom6_002027?
The molecular formula of MixCom6_002027 is C21H18N2O7S.
What is the molecular weight of MixCom6_002027?
The molecular weight of MixCom6_002027 is 442.08 g/mol.
Where can I buy MixCom6_002027?
You can request a quote for MixCom6_002027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002027?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.