AB01299050-01
TL;DR: AB01299050-01 (CAS 904006-63-9) is a chemical compound with molecular formula C18H28N4 and molecular weight 300.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(dimethylamino)propylamino]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: AB01299050-01, 3-[3-(dimethylamino)propylamino]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, AO-022/43453105, 3-{[3-(dimethylamino)propyl]amino}-1-(propan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(3-dimethylaminopropylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C18H28N4 |
|---|---|
| Molecular Weight | 300.23 g/mol |
| LogP | 3.31908 |
| Topological Polar Surface Area | 51.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.23138 |
| Heavy Atoms | 22 |
| Complexity | 555.1861 |
Chemical Identifiers
| CAS Number | 904006-63-9 |
|---|---|
| SMILES | CC(C)C1=NC(=C(C2=C1CCCC2)C#N)NCCCN(C)C |
Product Overview
AB01299050-01 (CAS 904006-63-9), with molecular formula C18H28N4 and molecular weight 300.23 g/mol. IUPAC: 3-[3-(dimethylamino)propylamino]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of AB01299050-01
Property Insights of AB01299050-01
The XLogP value of 3.31908 indicates that AB01299050-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.95 Ų, AB01299050-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01299050-01 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 AB01299050-01?
The CAS number of AB01299050-01 is 904006-63-9.
What is the molecular formula of AB01299050-01?
The molecular formula of AB01299050-01 is C18H28N4.
What is the molecular weight of AB01299050-01?
The molecular weight of AB01299050-01 is 300.23 g/mol.
Where can I buy AB01299050-01?
You can request a quote for AB01299050-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01299050-01?
Yes, KEHONG BIO provides custom synthesis services for AB01299050-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.