AB01292400-01
TL;DR: AB01292400-01 (CAS 1173681-64-5) is a chemical compound with molecular formula C23H35N3O4 and molecular weight 417.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (3S)-3-[[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Also Known As: AB01292400-01, (S)-tert-butyl 3-(((S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate, tert-butyl (3S)-3-[[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate, tert-butyl (3S)-3-{[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C23H35N3O4 |
|---|---|
| Molecular Weight | 417.26 g/mol |
| LogP | 3.0154 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.26276 |
| Heavy Atoms | 30 |
| Complexity | 769.95685 |
Chemical Identifiers
| CAS Number | 1173681-64-5 |
|---|---|
| SMILES | CCCNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C |
Product Overview
AB01292400-01 (CAS 1173681-64-5), with molecular formula C23H35N3O4 and molecular weight 417.26 g/mol. IUPAC: tert-butyl (3S)-3-[[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate.
Chemical Property Profile of AB01292400-01
Property Insights of AB01292400-01
The XLogP value of 3.0154 indicates that AB01292400-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01292400-01. Following Lipinski's Rule of Five, AB01292400-01 has 2 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 AB01292400-01?
The CAS number of AB01292400-01 is 1173681-64-5.
What is the molecular formula of AB01292400-01?
The molecular formula of AB01292400-01 is C23H35N3O4.
What is the molecular weight of AB01292400-01?
The molecular weight of AB01292400-01 is 417.26 g/mol.
Where can I buy AB01292400-01?
You can request a quote for AB01292400-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01292400-01?
Yes, KEHONG BIO provides custom synthesis services for AB01292400-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.