AB00684483-01
TL;DR: AB00684483-01 (CAS 536699-85-1) is a chemical compound with molecular formula C23H29N3O5S and molecular weight 459.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: AB00684483-01, F0574-0189, N-(tert-butyl)-6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide, N-tert-butyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide, N-tert-butyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
| Molecular Formula | C23H29N3O5S |
|---|---|
| Molecular Weight | 459.18 g/mol |
| LogP | 4.2632 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.1828 |
| Heavy Atoms | 32 |
| Complexity | 988.36176 |
Chemical Identifiers
| CAS Number | 536699-85-1 |
|---|---|
| SMILES | CC(C)(C)NC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)[N+](=O)[O-])OC)OC |
Product Overview
AB00684483-01 (CAS 536699-85-1), with molecular formula C23H29N3O5S and molecular weight 459.18 g/mol. IUPAC: N-tert-butyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of AB00684483-01
Property Insights of AB00684483-01
The XLogP value of 4.2632 indicates that AB00684483-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684483-01. Following Lipinski's Rule of Five, AB00684483-01 has 1 hydrogen bond donor(s) and 6 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 AB00684483-01?
The CAS number of AB00684483-01 is 536699-85-1.
What is the molecular formula of AB00684483-01?
The molecular formula of AB00684483-01 is C23H29N3O5S.
What is the molecular weight of AB00684483-01?
The molecular weight of AB00684483-01 is 459.18 g/mol.
Where can I buy AB00684483-01?
You can request a quote for AB00684483-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684483-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684483-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.