F0806-0076
TL;DR: F0806-0076 (CAS 477490-57-6) is a chemical compound with molecular formula C27H19N3O6S2 and molecular weight 545.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[6-[(2-methoxycarbonyl-1-benzothiophen-3-yl)carbamoyl]pyridine-2-carbonyl]amino]-1-benzothiophene-2-carboxylate
Also Known As: F0806-0076, dimethyl 3,3'-((pyridine-2,6-dicarbonyl)bis(azanediyl))bis(benzo[b]thiophene-2-carboxylate), methyl 3-(6-{[2-(methoxycarbonyl)-1-benzothiophen-3-yl]carbamoyl}pyridine-2-amido)-1-benzothiophene-2-carboxylate, methyl 3-[[6-[(2-methoxycarbonyl-1-benzothiophen-3-yl)carbamoyl]pyridine-2-carbonyl]amino]-1-benzothiophene-2-carboxylate, methyl 3-[6-(N-2-methoxycarbonyl-1-benzothiophen-3-ylcarbamoyl)-2-pyridylcarbonylamino]-1-benzothiophene-2-carboxylate
| Molecular Formula | C27H19N3O6S2 |
|---|---|
| Molecular Weight | 545.07 g/mol |
| LogP | 5.5888 |
| Topological Polar Surface Area | 123.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 545.07153 |
| Heavy Atoms | 38 |
| Complexity | 1616.3367 |
Chemical Identifiers
| CAS Number | 477490-57-6 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=NC(=CC=C3)C(=O)NC4=C(SC5=CC=CC=C54)C(=O)OC |
Product Overview
F0806-0076 (CAS 477490-57-6), with molecular formula C27H19N3O6S2 and molecular weight 545.07 g/mol. IUPAC: methyl 3-[[6-[(2-methoxycarbonyl-1-benzothiophen-3-yl)carbamoyl]pyridine-2-carbonyl]amino]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of F0806-0076
Property Insights of F0806-0076
The XLogP value of 5.5888 indicates that F0806-0076 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.69 Ų falls within the moderate polarity range, balancing permeability and solubility for F0806-0076. Following Lipinski's Rule of Five, F0806-0076 has 2 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 F0806-0076?
The CAS number of F0806-0076 is 477490-57-6.
What is the molecular formula of F0806-0076?
The molecular formula of F0806-0076 is C27H19N3O6S2.
What is the molecular weight of F0806-0076?
The molecular weight of F0806-0076 is 545.07 g/mol.
Where can I buy F0806-0076?
You can request a quote for F0806-0076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0806-0076?
Yes, KEHONG BIO provides custom synthesis services for F0806-0076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.