MERCK L739758
TL;DR: MERCK L739758 (CAS 168157-33-3) is a chemical compound with molecular formula C22H26N4O5S3 and molecular weight 522.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-[[2-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophene-5-carbonyl]amino]-2-(pyridin-3-ylsulfonylamino)propanoic acid
Also Known As: MERCK L739758, J1.161.187G, (2S)-3-[[2-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophene-5-carbonyl]amino]-2-(pyridin-3-ylsulfonylamino)propanoic acid, (2S)-2-[(3-Pyridinyl)sulfonylamino]-3-[[5-[2-(4-piperidinyl)ethyl]thieno[2,3-b]thiophen-2-yl]carbonylamino]propanoic acid, (2S)-3-({5-[2-(piperidin-4-yl)ethyl]thieno[2,3-b]thiophen-2-yl}formamido)-2-(pyridine-3-sulfonamido)propanoic acid
| Molecular Formula | C22H26N4O5S3 |
|---|---|
| Molecular Weight | 522.11 g/mol |
| LogP | 2.4515 |
| Topological Polar Surface Area | 137.49 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 522.1065 |
| Heavy Atoms | 34 |
| Complexity | 1218.5624 |
Chemical Identifiers
| CAS Number | 168157-33-3 |
|---|---|
| SMILES | C1CNCCC1CCC2=CC3=C(S2)SC(=C3)C(=O)NC[C@@H](C(=O)O)NS(=O)(=O)C4=CN=CC=C4 |
Product Overview
MERCK L739758 (CAS 168157-33-3), with molecular formula C22H26N4O5S3 and molecular weight 522.11 g/mol. IUPAC: (2S)-3-[[2-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophene-5-carbonyl]amino]-2-(pyridin-3-ylsulfonylamino)propanoic acid.
Chemical Property Profile of MERCK L739758
Property Insights of MERCK L739758
The XLogP value of 2.4515 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MERCK L739758. The TPSA of 137.49 Ų falls within the moderate polarity range, balancing permeability and solubility for MERCK L739758. Following Lipinski's Rule of Five, MERCK L739758 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MERCK L739758?
The CAS number of MERCK L739758 is 168157-33-3.
What is the molecular formula of MERCK L739758?
The molecular formula of MERCK L739758 is C22H26N4O5S3.
What is the molecular weight of MERCK L739758?
The molecular weight of MERCK L739758 is 522.11 g/mol.
Where can I buy MERCK L739758?
You can request a quote for MERCK L739758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MERCK L739758?
Yes, KEHONG BIO provides custom synthesis services for MERCK L739758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.