AB00013520-01
TL;DR: AB00013520-01 (CAS 4043-77-0) is a chemical compound with molecular formula C20H28N4OS and molecular weight 372.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(cyclohexen-1-yl)ethyl]-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide
Also Known As: AB00013520-01, N-[2-(Cyclohex-1-en-1-yl)ethyl]-1,3-dimethyl-4-[(propan-2-yl)sulfanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, N-[2-(cyclohexen-1-yl)ethyl]-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide
| Molecular Formula | C20H28N4OS |
|---|---|
| Molecular Weight | 372.20 g/mol |
| LogP | 4.39752 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.1984 |
| Heavy Atoms | 26 |
| Complexity | 837.939 |
Chemical Identifiers
| CAS Number | 4043-77-0 |
|---|---|
| SMILES | CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NCCC3=CCCCC3)C |
Product Overview
AB00013520-01 (CAS 4043-77-0), with molecular formula C20H28N4OS and molecular weight 372.20 g/mol. IUPAC: N-[2-(cyclohexen-1-yl)ethyl]-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide.
Chemical Property Profile of AB00013520-01
Property Insights of AB00013520-01
The XLogP value of 4.39752 indicates that AB00013520-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AB00013520-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00013520-01 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 AB00013520-01?
The CAS number of AB00013520-01 is 4043-77-0.
What is the molecular formula of AB00013520-01?
The molecular formula of AB00013520-01 is C20H28N4OS.
What is the molecular weight of AB00013520-01?
The molecular weight of AB00013520-01 is 372.20 g/mol.
Where can I buy AB00013520-01?
You can request a quote for AB00013520-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00013520-01?
Yes, KEHONG BIO provides custom synthesis services for AB00013520-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.