MixCom6_001383
TL;DR: MixCom6_001383 (CAS 342417-63-4) is a chemical compound with molecular formula C16H17N3O6 and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2,5-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: MixCom6_001383, BAS 00846461, BIM-0031209.P001, A1858/0078177, ethyl 5-(2,5-dimethoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C16H17N3O6 |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 0.0841 |
| Topological Polar Surface Area | 106.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.11172 |
| Heavy Atoms | 25 |
| Complexity | 775.1336 |
Chemical Identifiers
| CAS Number | 342417-63-4 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=C(C=CC(=C3)OC)OC |
Product Overview
MixCom6_001383 (CAS 342417-63-4), with molecular formula C16H17N3O6 and molecular weight 347.11 g/mol. IUPAC: ethyl 5-(2,5-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of MixCom6_001383
Property Insights of MixCom6_001383
The XLogP value of 0.0841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MixCom6_001383. The TPSA of 106.53 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_001383. Following Lipinski's Rule of Five, MixCom6_001383 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_001383?
The CAS number of MixCom6_001383 is 342417-63-4.
What is the molecular formula of MixCom6_001383?
The molecular formula of MixCom6_001383 is C16H17N3O6.
What is the molecular weight of MixCom6_001383?
The molecular weight of MixCom6_001383 is 347.11 g/mol.
Where can I buy MixCom6_001383?
You can request a quote for MixCom6_001383 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001383?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001383 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.