MixCom6_002498
TL;DR: MixCom6_002498 (CAS 297157-52-9) is a chemical compound with molecular formula C26H24N2O8S and molecular weight 524.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(2-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: MixCom6_002498, ChemDiv1_005943, BIM-0047608.P001, ETHYL 2-(2H-1,3-BENZODIOXOLE-5-AMIDO)-5-{[2-(ETHOXYCARBONYL)PHENYL]CARBAMOYL}-4-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(2-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
| Molecular Formula | C26H24N2O8S |
|---|---|
| Molecular Weight | 524.13 g/mol |
| LogP | 4.64322 |
| Topological Polar Surface Area | 129.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 524.12537 |
| Heavy Atoms | 37 |
| Complexity | 1380.8914 |
Chemical Identifiers
| CAS Number | 297157-52-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OCC)C |
Product Overview
MixCom6_002498 (CAS 297157-52-9), with molecular formula C26H24N2O8S and molecular weight 524.13 g/mol. IUPAC: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(2-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of MixCom6_002498
Property Insights of MixCom6_002498
The XLogP value of 4.64322 indicates that MixCom6_002498 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.26 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002498. Following Lipinski's Rule of Five, MixCom6_002498 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MixCom6_002498?
The CAS number of MixCom6_002498 is 297157-52-9.
What is the molecular formula of MixCom6_002498?
The molecular formula of MixCom6_002498 is C26H24N2O8S.
What is the molecular weight of MixCom6_002498?
The molecular weight of MixCom6_002498 is 524.13 g/mol.
Where can I buy MixCom6_002498?
You can request a quote for MixCom6_002498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002498?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.