F1736-0889
TL;DR: F1736-0889 (CAS 868154-41-0) is a chemical compound with molecular formula C22H21NO4S2 and molecular weight 427.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F1736-0889, methyl 2-(5-((phenylthio)methyl)furan-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 2-{5-[(PHENYLSULFANYL)METHYL]FURAN-2-AMIDO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-[({5-[(phenylsulfanyl)methyl]furan-2-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H21NO4S2 |
|---|---|
| Molecular Weight | 427.09 g/mol |
| LogP | 5.5511 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.0912 |
| Heavy Atoms | 29 |
| Complexity | 1022.8692 |
Chemical Identifiers
| CAS Number | 868154-41-0 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(O3)CSC4=CC=CC=C4 |
Product Overview
F1736-0889 (CAS 868154-41-0), with molecular formula C22H21NO4S2 and molecular weight 427.09 g/mol. IUPAC: methyl 2-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F1736-0889
Property Insights of F1736-0889
The XLogP value of 5.5511 indicates that F1736-0889 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for F1736-0889. Following Lipinski's Rule of Five, F1736-0889 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1736-0889?
The CAS number of F1736-0889 is 868154-41-0.
What is the molecular formula of F1736-0889?
The molecular formula of F1736-0889 is C22H21NO4S2.
What is the molecular weight of F1736-0889?
The molecular weight of F1736-0889 is 427.09 g/mol.
Where can I buy F1736-0889?
You can request a quote for F1736-0889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1736-0889?
Yes, KEHONG BIO provides custom synthesis services for F1736-0889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.