UPCMLD0ENAT5874225:001
TL;DR: UPCMLD0ENAT5874225:001 (CAS 446310-06-1) is a chemical compound with molecular formula C17H16FN3O2S2 and molecular weight 377.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: UPCMLD0ENAT5874225:001, 2-[(4-fluorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-({[(4-fluorophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C17H16FN3O2S2 |
|---|---|
| Molecular Weight | 377.07 g/mol |
| LogP | 2.9917 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.0668 |
| Heavy Atoms | 25 |
| Complexity | 846.323 |
Chemical Identifiers
| CAS Number | 446310-06-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)F)C(=O)N |
Product Overview
UPCMLD0ENAT5874225:001 (CAS 446310-06-1), with molecular formula C17H16FN3O2S2 and molecular weight 377.07 g/mol. IUPAC: 2-[(4-fluorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of UPCMLD0ENAT5874225:001
Property Insights of UPCMLD0ENAT5874225:001
The XLogP value of 2.9917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5874225:001. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5874225:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5874225:001 has 3 hydrogen bond donor(s) and 4 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 UPCMLD0ENAT5874225:001?
The CAS number of UPCMLD0ENAT5874225:001 is 446310-06-1.
What is the molecular formula of UPCMLD0ENAT5874225:001?
The molecular formula of UPCMLD0ENAT5874225:001 is C17H16FN3O2S2.
What is the molecular weight of UPCMLD0ENAT5874225:001?
The molecular weight of UPCMLD0ENAT5874225:001 is 377.07 g/mol.
Where can I buy UPCMLD0ENAT5874225:001?
You can request a quote for UPCMLD0ENAT5874225:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5874225:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5874225:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.