BAS 00540583
TL;DR: BAS 00540583 (CAS 329923-64-0) is a chemical compound with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00540583, methyl 6-methyl-2-(thiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 6-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-methyl-2-(thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C16H17NO3S2 |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 3.9733 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.06497 |
| Heavy Atoms | 22 |
| Complexity | 703.2994 |
Chemical Identifiers
| CAS Number | 329923-64-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=CS3 |
Product Overview
BAS 00540583 (CAS 329923-64-0), with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol. IUPAC: methyl 6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00540583
Property Insights of BAS 00540583
The XLogP value of 3.9733 indicates that BAS 00540583 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00540583 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00540583 has 1 hydrogen bond donor(s) and 5 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 00540583?
The CAS number of BAS 00540583 is 329923-64-0.
What is the molecular formula of BAS 00540583?
The molecular formula of BAS 00540583 is C16H17NO3S2.
What is the molecular weight of BAS 00540583?
The molecular weight of BAS 00540583 is 335.06 g/mol.
Where can I buy BAS 00540583?
You can request a quote for BAS 00540583 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00540583?
Yes, KEHONG BIO provides custom synthesis services for BAS 00540583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.