F0539-1199
TL;DR: F0539-1199 (CAS 524679-95-6) is a chemical compound with molecular formula C29H29N5O5S2 and molecular weight 591.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-benzyl-2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: F0539-1199, methyl 6-benzyl-2-(4-(N,N-bis(2-cyanoethyl)sulfamoyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, methyl 6-benzyl-2-{4-[bis(2-cyanoethyl)sulfamoyl]benzamido}-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate, methyl 6-benzyl-2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C29H29N5O5S2 |
|---|---|
| Molecular Weight | 591.16 g/mol |
| LogP | 4.16336 |
| Topological Polar Surface Area | 143.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 591.161 |
| Heavy Atoms | 41 |
| Complexity | 1571.1218 |
Chemical Identifiers
| CAS Number | 524679-95-6 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N |
Product Overview
F0539-1199 (CAS 524679-95-6), with molecular formula C29H29N5O5S2 and molecular weight 591.16 g/mol. IUPAC: methyl 6-benzyl-2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of F0539-1199
Property Insights of F0539-1199
The XLogP value of 4.16336 indicates that F0539-1199 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.6 Ų indicates high polarity, suggesting F0539-1199 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0539-1199 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0539-1199?
The CAS number of F0539-1199 is 524679-95-6.
What is the molecular formula of F0539-1199?
The molecular formula of F0539-1199 is C29H29N5O5S2.
What is the molecular weight of F0539-1199?
The molecular weight of F0539-1199 is 591.16 g/mol.
Where can I buy F0539-1199?
You can request a quote for F0539-1199 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0539-1199?
Yes, KEHONG BIO provides custom synthesis services for F0539-1199 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.