BAS 01067058
TL;DR: BAS 01067058 (CAS 334503-49-0) is a chemical compound with molecular formula C18H18N2O3S3 and molecular weight 406.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01067058, F1522-8155, (E)-methyl 2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, METHYL 2-({[(2E)-3-(THIOPHEN-2-YL)PROP-2-ENAMIDO]METHANETHIOYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H18N2O3S3 |
|---|---|
| Molecular Weight | 406.05 g/mol |
| LogP | 4.0014 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.04794 |
| Heavy Atoms | 26 |
| Complexity | 853.4132 |
Chemical Identifiers
| CAS Number | 334503-49-0 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)/C=C/C3=CC=CS3 |
Product Overview
BAS 01067058 (CAS 334503-49-0), with molecular formula C18H18N2O3S3 and molecular weight 406.05 g/mol. IUPAC: methyl 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01067058
Property Insights of BAS 01067058
The XLogP value of 4.0014 indicates that BAS 01067058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01067058. Following Lipinski's Rule of Five, BAS 01067058 has 2 hydrogen bond donor(s) and 6 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 01067058?
The CAS number of BAS 01067058 is 334503-49-0.
What is the molecular formula of BAS 01067058?
The molecular formula of BAS 01067058 is C18H18N2O3S3.
What is the molecular weight of BAS 01067058?
The molecular weight of BAS 01067058 is 406.05 g/mol.
Where can I buy BAS 01067058?
You can request a quote for BAS 01067058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01067058?
Yes, KEHONG BIO provides custom synthesis services for BAS 01067058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.