F1831-0035
TL;DR: F1831-0035 (CAS 868965-76-8) is a chemical compound with molecular formula C16H17N3O4S2 and molecular weight 379.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: F1831-0035, N-[3-(methylcarbamoyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]-5-nitrothiophene-2-carboxamide, N-methyl-2-(5-nitrothiophene-2-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-methyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-methyl-2-(5-nitro-2-thenylamino)-1-thia-5,6,7,8-tetrahydro-4H-azulene-3-carboxamide
| Molecular Formula | C16H17N3O4S2 |
|---|---|
| Molecular Weight | 379.07 g/mol |
| LogP | 3.5986 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.06604 |
| Heavy Atoms | 25 |
| Complexity | 840.5486 |
Chemical Identifiers
| CAS Number | 868965-76-8 |
|---|---|
| SMILES | CNC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
F1831-0035 (CAS 868965-76-8), with molecular formula C16H17N3O4S2 and molecular weight 379.07 g/mol. IUPAC: N-methyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of F1831-0035
Property Insights of F1831-0035
The XLogP value of 3.5986 indicates that F1831-0035 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for F1831-0035. Following Lipinski's Rule of Five, F1831-0035 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 F1831-0035?
The CAS number of F1831-0035 is 868965-76-8.
What is the molecular formula of F1831-0035?
The molecular formula of F1831-0035 is C16H17N3O4S2.
What is the molecular weight of F1831-0035?
The molecular weight of F1831-0035 is 379.07 g/mol.
Where can I buy F1831-0035?
You can request a quote for F1831-0035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1831-0035?
Yes, KEHONG BIO provides custom synthesis services for F1831-0035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.