ChemDiv2_008004
TL;DR: ChemDiv2_008004 (CAS 449769-07-7) is a chemical compound with molecular formula C23H27N3O6S2 and molecular weight 505.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-acetyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: ChemDiv2_008004, IDI1_006719, F0539-1498, methyl 6-acetyl-2-(4-(piperidin-1-ylsulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, methyl 6-acetyl-2-[4-(piperidine-1-sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C23H27N3O6S2 |
|---|---|
| Molecular Weight | 505.13 g/mol |
| LogP | 2.8662 |
| Topological Polar Surface Area | 113.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.13412 |
| Heavy Atoms | 34 |
| Complexity | 1214.0753 |
Chemical Identifiers
| CAS Number | 449769-07-7 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4 |
Product Overview
ChemDiv2_008004 (CAS 449769-07-7), with molecular formula C23H27N3O6S2 and molecular weight 505.13 g/mol. IUPAC: methyl 6-acetyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv2_008004
Property Insights of ChemDiv2_008004
The XLogP value of 2.8662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_008004. The TPSA of 113.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_008004. Following Lipinski's Rule of Five, ChemDiv2_008004 has 1 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_008004?
The CAS number of ChemDiv2_008004 is 449769-07-7.
What is the molecular formula of ChemDiv2_008004?
The molecular formula of ChemDiv2_008004 is C23H27N3O6S2.
What is the molecular weight of ChemDiv2_008004?
The molecular weight of ChemDiv2_008004 is 505.13 g/mol.
Where can I buy ChemDiv2_008004?
You can request a quote for ChemDiv2_008004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_008004?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_008004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.