F0539-0405
TL;DR: F0539-0405 (CAS 449767-87-7) is a chemical compound with molecular formula C27H36N4O4S2 and molecular weight 544.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
Also Known As: F0539-0405, 6-ethyl-2-(4-((1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide, 6-ethyl-2-[4-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxamide, 6-ethyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide, 6-ethyl-2-[[4-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
| Molecular Formula | C27H36N4O4S2 |
|---|---|
| Molecular Weight | 544.22 g/mol |
| LogP | 4.0666 |
| Topological Polar Surface Area | 112.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.2178 |
| Heavy Atoms | 37 |
| Complexity | 1349.1257 |
Chemical Identifiers
| CAS Number | 449767-87-7 |
|---|---|
| SMILES | CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC5(CC4CC(C5)(C)C)C |
Product Overview
F0539-0405 (CAS 449767-87-7), with molecular formula C27H36N4O4S2 and molecular weight 544.22 g/mol. IUPAC: 6-ethyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
Chemical Property Profile of F0539-0405
Property Insights of F0539-0405
The XLogP value of 4.0666 indicates that F0539-0405 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.81 Ų falls within the moderate polarity range, balancing permeability and solubility for F0539-0405. Following Lipinski's Rule of Five, F0539-0405 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0539-0405?
The CAS number of F0539-0405 is 449767-87-7.
What is the molecular formula of F0539-0405?
The molecular formula of F0539-0405 is C27H36N4O4S2.
What is the molecular weight of F0539-0405?
The molecular weight of F0539-0405 is 544.22 g/mol.
Where can I buy F0539-0405?
You can request a quote for F0539-0405 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-0405?
Yes, KEHONG BIO provides custom synthesis services for F0539-0405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.