![4,5-b']Dithiophene structure](/static/products/1044/1044795-08-5.webp)
4,5-b']Dithiophene
TL;DR: 4,5-b']Dithiophene (CAS 1044795-08-5) is a chemical compound with molecular formula C21H17FN2O2S and molecular weight 380.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[3-[(3-methylphenyl)carbamoyl]phenyl] N-(4-fluorophenyl)carbamothioate
Also Known As: 4,5-b']dithiophene, A0554/0025579, 3-{[(4-FLUOROPHENYL)CARBAMOTHIOYL]OXY}-N-(3-METHYLPHENYL)BENZAMIDE, O-[3-[(3-methylphenyl)carbamoyl]phenyl] N-(4-fluorophenyl)carbamothioate, O-{3-[(3-methylphenyl)carbamoyl]phenyl} (4-fluorophenyl)carbamothioate
| Molecular Formula | C21H17FN2O2S |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | 5.16222 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.0995 |
| Heavy Atoms | 27 |
| Complexity | 973.9254 |
Chemical Identifiers
| CAS Number | 1044795-08-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)OC(=S)NC3=CC=C(C=C3)F |
Product Overview
4,5-b']Dithiophene (CAS 1044795-08-5), with molecular formula C21H17FN2O2S and molecular weight 380.10 g/mol. IUPAC: O-[3-[(3-methylphenyl)carbamoyl]phenyl] N-(4-fluorophenyl)carbamothioate.
Chemical Property Profile of 4,5-b']Dithiophene
Property Insights of 4,5-b']Dithiophene
The XLogP value of 5.16222 indicates that 4,5-b']Dithiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 4,5-b']Dithiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-b']Dithiophene has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-b']Dithiophene?
The CAS number of 4,5-b']Dithiophene is 1044795-08-5.
What is the molecular formula of 4,5-b']Dithiophene?
The molecular formula of 4,5-b']Dithiophene is C21H17FN2O2S.
What is the molecular weight of 4,5-b']Dithiophene?
The molecular weight of 4,5-b']Dithiophene is 380.10 g/mol.
Where can I buy 4,5-b']Dithiophene?
You can request a quote for 4,5-b']Dithiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-b']Dithiophene?
Yes, KEHONG BIO provides custom synthesis services for 4,5-b']Dithiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.