BAS 03077416
TL;DR: BAS 03077416 (CAS 327071-52-3) is a chemical compound with molecular formula C16H21NO5S and molecular weight 339.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-ethoxy-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 03077416, methyl 2-[(4-ethoxy-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, F1443-7401, METHYL 2-(4-ETHOXY-4-OXOBUTANAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-(4-ethoxy-4-oxobutanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C16H21NO5S |
|---|---|
| Molecular Weight | 339.11 g/mol |
| LogP | 2.6953 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.11404 |
| Heavy Atoms | 23 |
| Complexity | 607.85693 |
Chemical Identifiers
| CAS Number | 327071-52-3 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC |
Product Overview
BAS 03077416 (CAS 327071-52-3), with molecular formula C16H21NO5S and molecular weight 339.11 g/mol. IUPAC: methyl 2-[(4-ethoxy-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 03077416
Property Insights of BAS 03077416
The XLogP value of 2.6953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03077416. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03077416. Following Lipinski's Rule of Five, BAS 03077416 has 1 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 03077416?
The CAS number of BAS 03077416 is 327071-52-3.
What is the molecular formula of BAS 03077416?
The molecular formula of BAS 03077416 is C16H21NO5S.
What is the molecular weight of BAS 03077416?
The molecular weight of BAS 03077416 is 339.11 g/mol.
Where can I buy BAS 03077416?
You can request a quote for BAS 03077416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03077416?
Yes, KEHONG BIO provides custom synthesis services for BAS 03077416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.