ChemDiv2_008048
TL;DR: ChemDiv2_008048 (CAS 449781-91-3) is a chemical compound with molecular formula C22H28N4O6S2 and molecular weight 508.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-carbamoyl-2-[[4-(diethylsulfamoyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: ChemDiv2_008048, IDI1_006763, F0539-1865, ethyl 3-carbamoyl-2-[4-(diethylsulfamoyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 3-carbamoyl-2-(4-(N,N-diethylsulfamoyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
| Molecular Formula | C22H28N4O6S2 |
|---|---|
| Molecular Weight | 508.15 g/mol |
| LogP | 2.6444 |
| Topological Polar Surface Area | 139.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 508.14502 |
| Heavy Atoms | 34 |
| Complexity | 1186.7222 |
Chemical Identifiers
| CAS Number | 449781-91-3 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC)C(=O)N |
Product Overview
ChemDiv2_008048 (CAS 449781-91-3), with molecular formula C22H28N4O6S2 and molecular weight 508.15 g/mol. IUPAC: ethyl 3-carbamoyl-2-[[4-(diethylsulfamoyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of ChemDiv2_008048
Property Insights of ChemDiv2_008048
The XLogP value of 2.6444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_008048. The TPSA of 139.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_008048. Following Lipinski's Rule of Five, ChemDiv2_008048 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_008048?
The CAS number of ChemDiv2_008048 is 449781-91-3.
What is the molecular formula of ChemDiv2_008048?
The molecular formula of ChemDiv2_008048 is C22H28N4O6S2.
What is the molecular weight of ChemDiv2_008048?
The molecular weight of ChemDiv2_008048 is 508.15 g/mol.
Where can I buy ChemDiv2_008048?
You can request a quote for ChemDiv2_008048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_008048?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_008048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.