BAS 00382087
TL;DR: BAS 00382087 (CAS 79750-91-7) is a chemical compound with molecular formula C25H25NO3S and molecular weight 419.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2,2-diphenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00382087, A0353/0016272, ethyl 2-[(2,2-diphenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(diphenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2,2-diphenylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C25H25NO3S |
|---|---|
| Molecular Weight | 419.16 g/mol |
| LogP | 5.5742 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.15552 |
| Heavy Atoms | 30 |
| Complexity | 987.8071 |
Chemical Identifiers
| CAS Number | 79750-91-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
BAS 00382087 (CAS 79750-91-7), with molecular formula C25H25NO3S and molecular weight 419.16 g/mol. IUPAC: ethyl 2-[(2,2-diphenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00382087
Property Insights of BAS 00382087
The XLogP value of 5.5742 indicates that BAS 00382087 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 00382087 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00382087 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 00382087?
The CAS number of BAS 00382087 is 79750-91-7.
What is the molecular formula of BAS 00382087?
The molecular formula of BAS 00382087 is C25H25NO3S.
What is the molecular weight of BAS 00382087?
The molecular weight of BAS 00382087 is 419.16 g/mol.
Where can I buy BAS 00382087?
You can request a quote for BAS 00382087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00382087?
Yes, KEHONG BIO provides custom synthesis services for BAS 00382087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.