AP-064/41129216
TL;DR: AP-064/41129216 (CAS 499198-64-0) is a chemical compound with molecular formula C25H35N3O3S and molecular weight 457.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-[[2-(dimethylamino)acetyl]amino]-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AP-064/41129216, 6-tert-butyl-2-[[2-(dimethylamino)acetyl]amino]-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-tert-butyl-2-{[(dimethylamino)acetyl]amino}-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C25H35N3O3S |
|---|---|
| Molecular Weight | 457.24 g/mol |
| LogP | 5.0502 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.2399 |
| Heavy Atoms | 32 |
| Complexity | 958.0471 |
Chemical Identifiers
| CAS Number | 499198-64-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)CN(C)C |
Product Overview
AP-064/41129216 (CAS 499198-64-0), with molecular formula C25H35N3O3S and molecular weight 457.24 g/mol. IUPAC: 6-tert-butyl-2-[[2-(dimethylamino)acetyl]amino]-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AP-064/41129216
Property Insights of AP-064/41129216
The XLogP value of 5.0502 indicates that AP-064/41129216 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-064/41129216. Following Lipinski's Rule of Five, AP-064/41129216 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AP-064/41129216?
The CAS number of AP-064/41129216 is 499198-64-0.
What is the molecular formula of AP-064/41129216?
The molecular formula of AP-064/41129216 is C25H35N3O3S.
What is the molecular weight of AP-064/41129216?
The molecular weight of AP-064/41129216 is 457.24 g/mol.
Where can I buy AP-064/41129216?
You can request a quote for AP-064/41129216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-064/41129216?
Yes, KEHONG BIO provides custom synthesis services for AP-064/41129216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.