AB01299048-01
TL;DR: AB01299048-01 (CAS 904007-45-0) is a chemical compound with molecular formula C16H23N3O and molecular weight 273.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyethylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: AB01299048-01, 3-(2-methoxyethylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-isopropyl-3-((2-methoxyethyl)amino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[(2-methoxyethyl)amino]-1-(propan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C16H23N3O |
|---|---|
| Molecular Weight | 273.18 g/mol |
| LogP | 3.01378 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.1841 |
| Heavy Atoms | 20 |
| Complexity | 517.4338 |
Chemical Identifiers
| CAS Number | 904007-45-0 |
|---|---|
| SMILES | CC(C)C1=NC(=C(C2=C1CCCC2)C#N)NCCOC |
Product Overview
AB01299048-01 (CAS 904007-45-0), with molecular formula C16H23N3O and molecular weight 273.18 g/mol. IUPAC: 3-(2-methoxyethylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of AB01299048-01
Property Insights of AB01299048-01
The XLogP value of 3.01378 indicates that AB01299048-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.94 Ų, AB01299048-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01299048-01 has 1 hydrogen bond donor(s) and 4 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 AB01299048-01?
The CAS number of AB01299048-01 is 904007-45-0.
What is the molecular formula of AB01299048-01?
The molecular formula of AB01299048-01 is C16H23N3O.
What is the molecular weight of AB01299048-01?
The molecular weight of AB01299048-01 is 273.18 g/mol.
Where can I buy AB01299048-01?
You can request a quote for AB01299048-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01299048-01?
Yes, KEHONG BIO provides custom synthesis services for AB01299048-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.