BAS 03012128
TL;DR: BAS 03012128 (CAS 315685-77-9) is a chemical compound with molecular formula C16H21NO4S and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methyl-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 03012128, AB00115685-01, methyl 6-methyl-2-[(tetrahydro-2-furanylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-methyl-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-methyl-2-(oxolan-2-ylcarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophe ne-3-carboxylate
| Molecular Formula | C16H21NO4S |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 2.777 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.11914 |
| Heavy Atoms | 22 |
| Complexity | 589.2114 |
Chemical Identifiers
| CAS Number | 315685-77-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CCCO3 |
Product Overview
BAS 03012128 (CAS 315685-77-9), with molecular formula C16H21NO4S and molecular weight 323.12 g/mol. IUPAC: methyl 6-methyl-2-(oxolane-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 03012128
Property Insights of BAS 03012128
The XLogP value of 2.777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03012128. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03012128. Following Lipinski's Rule of Five, BAS 03012128 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 03012128?
The CAS number of BAS 03012128 is 315685-77-9.
What is the molecular formula of BAS 03012128?
The molecular formula of BAS 03012128 is C16H21NO4S.
What is the molecular weight of BAS 03012128?
The molecular weight of BAS 03012128 is 323.12 g/mol.
Where can I buy BAS 03012128?
You can request a quote for BAS 03012128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03012128?
Yes, KEHONG BIO provides custom synthesis services for BAS 03012128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.