BAS 06316301
TL;DR: BAS 06316301 (CAS 301694-01-9) is a chemical compound with molecular formula C18H19NO3S and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 06316301, methyl 2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 2-(4-METHYLBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, 2-(4-ME-BENZOYLAMINO)-4,5,6,7-4H-BENZO(B)THIOPHENE-3-CARBOXYLIC ACID ME ESTER, methyl 2-[(4-methylbenzene)amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H19NO3S |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.10855 |
| Heavy Atoms | 23 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 301694-01-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
| InChIKey | SAWCLBFLHPGRFV-UHFFFAOYSA-N |
Product Overview
BAS 06316301 (CAS 301694-01-9), with molecular formula C18H19NO3S and molecular weight 329.11 g/mol. IUPAC: methyl 2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 06316301
Property Insights of BAS 06316301
The XLogP value of 4.8 indicates that BAS 06316301 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06316301. Following Lipinski's Rule of Five, BAS 06316301 has 1 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 06316301?
The CAS number of BAS 06316301 is 301694-01-9.
What is the molecular formula of BAS 06316301?
The molecular formula of BAS 06316301 is C18H19NO3S.
What is the molecular weight of BAS 06316301?
The molecular weight of BAS 06316301 is 329.11 g/mol.
Where can I buy BAS 06316301?
You can request a quote for BAS 06316301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06316301?
Yes, KEHONG BIO provides custom synthesis services for BAS 06316301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.