BAS 00776721
TL;DR: BAS 00776721 (CAS 302934-32-3) is a chemical compound with molecular formula C13H16Cl3N3O2S and molecular weight 383.00 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)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 00776721, 2-[(1-acetamido-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[1-(acetylamino)-2,2,2-trichloroethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(2,2,2-TRICHLORO-1-ACETAMIDOETHYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
| Molecular Formula | C13H16Cl3N3O2S |
|---|---|
| Molecular Weight | 383.00 g/mol |
| LogP | 2.9701 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.00287 |
| Heavy Atoms | 22 |
| Complexity | 598.0862 |
Chemical Identifiers
| CAS Number | 302934-32-3 |
|---|---|
| SMILES | CC(=O)NC(C(Cl)(Cl)Cl)NC1=C(C2=C(S1)CCCC2)C(=O)N |
Product Overview
BAS 00776721 (CAS 302934-32-3), with molecular formula C13H16Cl3N3O2S and molecular weight 383.00 g/mol. IUPAC: 2-[(1-acetamido-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 00776721
Property Insights of BAS 00776721
The XLogP value of 2.9701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00776721. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00776721. Following Lipinski's Rule of Five, BAS 00776721 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 BAS 00776721?
The CAS number of BAS 00776721 is 302934-32-3.
What is the molecular formula of BAS 00776721?
The molecular formula of BAS 00776721 is C13H16Cl3N3O2S.
What is the molecular weight of BAS 00776721?
The molecular weight of BAS 00776721 is 383.00 g/mol.
Where can I buy BAS 00776721?
You can request a quote for BAS 00776721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00776721?
Yes, KEHONG BIO provides custom synthesis services for BAS 00776721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.