F0816-0548
TL;DR: F0816-0548 (CAS 397289-60-0) is a chemical compound with molecular formula C22H21N3O5S3 and molecular weight 503.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxylate
Also Known As: F0816-0548, METHYL 3-[({[4-(PYRROLIDINE-1-SULFONYL)PHENYL]FORMAMIDO}METHANETHIOYL)AMINO]-1-BENZOTHIOPHENE-2-CARBOXYLATE, methyl 3-(3-(4-(pyrrolidin-1-ylsulfonyl)benzoyl)thioureido)benzo[b]thiophene-2-carboxylate, methyl 3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxylate, Methyl 3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)thiocarbamoylamino]benzothiophene-2-carboxylate
| Molecular Formula | C22H21N3O5S3 |
|---|---|
| Molecular Weight | 503.06 g/mol |
| LogP | 3.5992 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 503.06433 |
| Heavy Atoms | 33 |
| Complexity | 1327.0652 |
Chemical Identifiers
| CAS Number | 397289-60-0 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 |
Product Overview
F0816-0548 (CAS 397289-60-0), with molecular formula C22H21N3O5S3 and molecular weight 503.06 g/mol. IUPAC: methyl 3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of F0816-0548
Property Insights of F0816-0548
The XLogP value of 3.5992 indicates that F0816-0548 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for F0816-0548. Following Lipinski's Rule of Five, F0816-0548 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0816-0548?
The CAS number of F0816-0548 is 397289-60-0.
What is the molecular formula of F0816-0548?
The molecular formula of F0816-0548 is C22H21N3O5S3.
What is the molecular weight of F0816-0548?
The molecular weight of F0816-0548 is 503.06 g/mol.
Where can I buy F0816-0548?
You can request a quote for F0816-0548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0816-0548?
Yes, KEHONG BIO provides custom synthesis services for F0816-0548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.