MixCom6_001587
TL;DR: MixCom6_001587 (CAS 331837-46-8) is a chemical compound with molecular formula C17H23NO5S2 and molecular weight 385.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate
Also Known As: MixCom6_001587, BIM-0031065.P001, AB00102293-01, ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate, ETHYL 2-(4-METHOXY-4-OXOBUTANAMIDO)-5,5-DIMETHYL-4H,5H,7H-THIENO[2,3-C]THIOPYRAN-3-CARBOXYLATE
| Molecular Formula | C17H23NO5S2 |
|---|---|
| Molecular Weight | 385.10 g/mol |
| LogP | 3.3844 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.10178 |
| Heavy Atoms | 25 |
| Complexity | 680.82324 |
Chemical Identifiers
| CAS Number | 331837-46-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(SC2)(C)C)NC(=O)CCC(=O)OC |
Product Overview
MixCom6_001587 (CAS 331837-46-8), with molecular formula C17H23NO5S2 and molecular weight 385.10 g/mol. IUPAC: ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate.
Chemical Property Profile of MixCom6_001587
Property Insights of MixCom6_001587
The XLogP value of 3.3844 indicates that MixCom6_001587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_001587. Following Lipinski's Rule of Five, MixCom6_001587 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_001587?
The CAS number of MixCom6_001587 is 331837-46-8.
What is the molecular formula of MixCom6_001587?
The molecular formula of MixCom6_001587 is C17H23NO5S2.
What is the molecular weight of MixCom6_001587?
The molecular weight of MixCom6_001587 is 385.10 g/mol.
Where can I buy MixCom6_001587?
You can request a quote for MixCom6_001587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001587?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.