F0806-0413
TL;DR: F0806-0413 (CAS 477494-61-4) is a chemical compound with molecular formula C17H17N3O4S2 and molecular weight 391.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: F0806-0413, (E)-2-(3-(5-nitrothiophen-2-yl)acrylamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-[(2E)-3-(5-nitrothiophen-2-yl)prop-2-enamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide, 2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-[(E)-2-(5-nitro-2-thienyl)ethenylcarbonylamino]-1-thia-5,6,7,8-tetrahydro-4H-azulene-3-carboxamide
| Molecular Formula | C17H17N3O4S2 |
|---|---|
| Molecular Weight | 391.07 g/mol |
| LogP | 3.7375 |
| Topological Polar Surface Area | 115.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.06604 |
| Heavy Atoms | 26 |
| Complexity | 897.9553 |
Chemical Identifiers
| CAS Number | 477494-61-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
F0806-0413 (CAS 477494-61-4), with molecular formula C17H17N3O4S2 and molecular weight 391.07 g/mol. IUPAC: 2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of F0806-0413
Property Insights of F0806-0413
The XLogP value of 3.7375 indicates that F0806-0413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.33 Ų falls within the moderate polarity range, balancing permeability and solubility for F0806-0413. Following Lipinski's Rule of Five, F0806-0413 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0806-0413?
The CAS number of F0806-0413 is 477494-61-4.
What is the molecular formula of F0806-0413?
The molecular formula of F0806-0413 is C17H17N3O4S2.
What is the molecular weight of F0806-0413?
The molecular weight of F0806-0413 is 391.07 g/mol.
Where can I buy F0806-0413?
You can request a quote for F0806-0413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0806-0413?
Yes, KEHONG BIO provides custom synthesis services for F0806-0413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.