ChemDiv1_028760
TL;DR: ChemDiv1_028760 (CAS 351006-51-4) is a chemical compound with molecular formula C20H24N2O4S2 and molecular weight 420.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: ChemDiv1_028760, BIM-0018143.P001, ethyl 2-(3-(4-methoxyphenyl)thioureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate, ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate, ethyl 2-{[(4-methoxyphenyl)carbamothioyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C20H24N2O4S2 |
|---|---|
| Molecular Weight | 420.12 g/mol |
| LogP | 4.5936 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.11774 |
| Heavy Atoms | 28 |
| Complexity | 875.076 |
Chemical Identifiers
| CAS Number | 351006-51-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=S)NC3=CC=C(C=C3)OC |
Product Overview
ChemDiv1_028760 (CAS 351006-51-4), with molecular formula C20H24N2O4S2 and molecular weight 420.12 g/mol. IUPAC: ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_028760
Property Insights of ChemDiv1_028760
The XLogP value of 4.5936 indicates that ChemDiv1_028760 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028760. Following Lipinski's Rule of Five, ChemDiv1_028760 has 2 hydrogen bond donor(s) and 6 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 ChemDiv1_028760?
The CAS number of ChemDiv1_028760 is 351006-51-4.
What is the molecular formula of ChemDiv1_028760?
The molecular formula of ChemDiv1_028760 is C20H24N2O4S2.
What is the molecular weight of ChemDiv1_028760?
The molecular weight of ChemDiv1_028760 is 420.12 g/mol.
Where can I buy ChemDiv1_028760?
You can request a quote for ChemDiv1_028760 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028760?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028760 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.