F0539-1512
TL;DR: F0539-1512 (CAS 449769-27-1) is a chemical compound with molecular formula C28H35N3O6S2 and molecular weight 573.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-acetyl-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-carboxylate
Also Known As: F0539-1512, methyl 6-acetyl-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-carboxylate, methyl 6-acetyl-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-carboxylate, methyl 6-acetyl-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-carboxylate, methyl 6-acetyl-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-carboxylate
| Molecular Formula | C28H35N3O6S2 |
|---|---|
| Molecular Weight | 573.20 g/mol |
| LogP | 4.2809 |
| Topological Polar Surface Area | 113.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 573.1967 |
| Heavy Atoms | 39 |
| Complexity | 1446.2054 |
Chemical Identifiers
| CAS Number | 449769-27-1 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC5(CC4CC(C5)(C)C)C |
Product Overview
F0539-1512 (CAS 449769-27-1), with molecular formula C28H35N3O6S2 and molecular weight 573.20 g/mol. IUPAC: methyl 6-acetyl-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-carboxylate.
Chemical Property Profile of F0539-1512
Property Insights of F0539-1512
The XLogP value of 4.2809 indicates that F0539-1512 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.09 Ų falls within the moderate polarity range, balancing permeability and solubility for F0539-1512. Following Lipinski's Rule of Five, F0539-1512 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 F0539-1512?
The CAS number of F0539-1512 is 449769-27-1.
What is the molecular formula of F0539-1512?
The molecular formula of F0539-1512 is C28H35N3O6S2.
What is the molecular weight of F0539-1512?
The molecular weight of F0539-1512 is 573.20 g/mol.
Where can I buy F0539-1512?
You can request a quote for F0539-1512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-1512?
Yes, KEHONG BIO provides custom synthesis services for F0539-1512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.