BAS 00510579
TL;DR: BAS 00510579 (CAS 438607-52-4) is a chemical compound with molecular formula C22H27NO3S and molecular weight 385.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-(2-phenylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00510579, ethyl 6-methyl-2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-methyl-2-(2-phenylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 6-METHYL-2-(2-PHENYLBUTANAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 6-methyl-2-(2-phenylbutanoylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3 -carboxylate
| Molecular Formula | C22H27NO3S |
|---|---|
| Molecular Weight | 385.17 g/mol |
| LogP | 5.1819 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.17117 |
| Heavy Atoms | 27 |
| Complexity | 812.46545 |
Chemical Identifiers
| CAS Number | 438607-52-4 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC |
Product Overview
BAS 00510579 (CAS 438607-52-4), with molecular formula C22H27NO3S and molecular weight 385.17 g/mol. IUPAC: ethyl 6-methyl-2-(2-phenylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00510579
Property Insights of BAS 00510579
The XLogP value of 5.1819 indicates that BAS 00510579 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 00510579 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00510579 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00510579?
The CAS number of BAS 00510579 is 438607-52-4.
What is the molecular formula of BAS 00510579?
The molecular formula of BAS 00510579 is C22H27NO3S.
What is the molecular weight of BAS 00510579?
The molecular weight of BAS 00510579 is 385.17 g/mol.
Where can I buy BAS 00510579?
You can request a quote for BAS 00510579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00510579?
Yes, KEHONG BIO provides custom synthesis services for BAS 00510579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.