BAS 02052762
TL;DR: BAS 02052762 (CAS 309726-63-4) is a chemical compound with molecular formula C22H25N3O4S and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 02052762, A2224/0093682, (E)-6-(tert-butyl)-2-(3-(3-nitrophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 6-TERT-BUTYL-2-[(2E)-3-(3-NITROPHENYL)PROP-2-ENAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, 6-tert-butyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C22H25N3O4S |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 4.5581 |
| Topological Polar Surface Area | 115.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.1566 |
| Heavy Atoms | 30 |
| Complexity | 1033.489 |
Chemical Identifiers
| CAS Number | 309726-63-4 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
BAS 02052762 (CAS 309726-63-4), with molecular formula C22H25N3O4S and molecular weight 427.16 g/mol. IUPAC: 6-tert-butyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 02052762
Property Insights of BAS 02052762
The XLogP value of 4.5581 indicates that BAS 02052762 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.33 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02052762. Following Lipinski's Rule of Five, BAS 02052762 has 2 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 02052762?
The CAS number of BAS 02052762 is 309726-63-4.
What is the molecular formula of BAS 02052762?
The molecular formula of BAS 02052762 is C22H25N3O4S.
What is the molecular weight of BAS 02052762?
The molecular weight of BAS 02052762 is 427.16 g/mol.
Where can I buy BAS 02052762?
You can request a quote for BAS 02052762 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02052762?
Yes, KEHONG BIO provides custom synthesis services for BAS 02052762 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.