ROCK-IN-11
TL;DR: ROCK-IN-11 (CAS 445267-51-6) is a chemical compound with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Also Known As: ROCK-IN-11, 3-amino-6-(pyridin-4-yl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide, HY-W295201, 3-amino-6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide, 3-amino-6-(4-pyridinyl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
| Molecular Formula | C22H20N4O4S |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 4.2186 |
| Topological Polar Surface Area | 108.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.1205 |
| Heavy Atoms | 31 |
| Complexity | 1232.3435 |
Chemical Identifiers
| CAS Number | 445267-51-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=NC=C4)N |
Product Overview
ROCK-IN-11 (CAS 445267-51-6), with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol. IUPAC: 3-amino-6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.
Chemical Property Profile of ROCK-IN-11
Property Insights of ROCK-IN-11
The XLogP value of 4.2186 indicates that ROCK-IN-11 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ROCK-IN-11. Following Lipinski's Rule of Five, ROCK-IN-11 has 2 hydrogen bond donor(s) and 8 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 ROCK-IN-11?
The CAS number of ROCK-IN-11 is 445267-51-6.
What is the molecular formula of ROCK-IN-11?
The molecular formula of ROCK-IN-11 is C22H20N4O4S.
What is the molecular weight of ROCK-IN-11?
The molecular weight of ROCK-IN-11 is 436.12 g/mol.
Where can I buy ROCK-IN-11?
You can request a quote for ROCK-IN-11 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ROCK-IN-11?
Yes, KEHONG BIO provides custom synthesis services for ROCK-IN-11 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.