F0539-1214
TL;DR: F0539-1214 (CAS 524679-89-8) is a chemical compound with molecular formula C29H33N3O5S2 and molecular weight 567.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: F0539-1214, methyl 2-[4-(azepane-1-sulfonyl)benzamido]-6-benzyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate, methyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C29H33N3O5S2 |
|---|---|
| Molecular Weight | 567.19 g/mol |
| LogP | 4.91 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 567.18616 |
| Heavy Atoms | 39 |
| Complexity | 1427.556 |
Chemical Identifiers
| CAS Number | 524679-89-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5 |
Product Overview
F0539-1214 (CAS 524679-89-8), with molecular formula C29H33N3O5S2 and molecular weight 567.19 g/mol. IUPAC: methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of F0539-1214
Property Insights of F0539-1214
The XLogP value of 4.91 indicates that F0539-1214 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for F0539-1214. Following Lipinski's Rule of Five, F0539-1214 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 F0539-1214?
The CAS number of F0539-1214 is 524679-89-8.
What is the molecular formula of F0539-1214?
The molecular formula of F0539-1214 is C29H33N3O5S2.
What is the molecular weight of F0539-1214?
The molecular weight of F0539-1214 is 567.19 g/mol.
Where can I buy F0539-1214?
You can request a quote for F0539-1214 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-1214?
Yes, KEHONG BIO provides custom synthesis services for F0539-1214 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.