BAS 00247445
TL;DR: BAS 00247445 (CAS 324769-70-2) is a chemical compound with molecular formula C14H17Cl3N4O2S2 and molecular weight 441.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 00247445, 2-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-({[1-(acetylamino)-2,2,2-trichloroethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[({[1-(acetylamino)-2,2,2-trichloroethyl]amino}carbonothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[({[1-(ACETYLAMINO)-2,2,2-TRICHLOROETHYL]AMINO}CARBOTHIOYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
| Molecular Formula | C14H17Cl3N4O2S2 |
|---|---|
| Molecular Weight | 441.99 g/mol |
| LogP | 2.8446 |
| Topological Polar Surface Area | 96.25 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.98584 |
| Heavy Atoms | 25 |
| Complexity | 702.9844 |
Chemical Identifiers
| CAS Number | 324769-70-2 |
|---|---|
| SMILES | CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)N |
Product Overview
BAS 00247445 (CAS 324769-70-2), with molecular formula C14H17Cl3N4O2S2 and molecular weight 441.99 g/mol. IUPAC: 2-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 00247445
Property Insights of BAS 00247445
The XLogP value of 2.8446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00247445. The TPSA of 96.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00247445. Following Lipinski's Rule of Five, BAS 00247445 has 4 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 BAS 00247445?
The CAS number of BAS 00247445 is 324769-70-2.
What is the molecular formula of BAS 00247445?
The molecular formula of BAS 00247445 is C14H17Cl3N4O2S2.
What is the molecular weight of BAS 00247445?
The molecular weight of BAS 00247445 is 441.99 g/mol.
Where can I buy BAS 00247445?
You can request a quote for BAS 00247445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00247445?
Yes, KEHONG BIO provides custom synthesis services for BAS 00247445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.