ChemDiv1_010798
TL;DR: ChemDiv1_010798 (CAS 336180-77-9) is a chemical compound with molecular formula C23H20N4O3S2 and molecular weight 464.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-thiophen-2-yl-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_010798, BAS 01107815, A0509/0023634, ethyl 6-amino-5-cyano-2-(((3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)methyl)-4-(thiophen-2-yl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-thiophen-2-yl-4H-pyran-3-carboxylate
| Molecular Formula | C23H20N4O3S2 |
|---|---|
| Molecular Weight | 464.10 g/mol |
| LogP | 3.92066 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.0977 |
| Heavy Atoms | 32 |
| Complexity | 1203.0603 |
Chemical Identifiers
| CAS Number | 336180-77-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=CS2)C#N)N)CSC3=C(C=C4CCCC4=N3)C#N |
Product Overview
ChemDiv1_010798 (CAS 336180-77-9), with molecular formula C23H20N4O3S2 and molecular weight 464.10 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-thiophen-2-yl-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_010798
Property Insights of ChemDiv1_010798
The XLogP value of 3.92066 indicates that ChemDiv1_010798 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.02 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010798. Following Lipinski's Rule of Five, ChemDiv1_010798 has 1 hydrogen bond donor(s) and 9 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 ChemDiv1_010798?
The CAS number of ChemDiv1_010798 is 336180-77-9.
What is the molecular formula of ChemDiv1_010798?
The molecular formula of ChemDiv1_010798 is C23H20N4O3S2.
What is the molecular weight of ChemDiv1_010798?
The molecular weight of ChemDiv1_010798 is 464.10 g/mol.
Where can I buy ChemDiv1_010798?
You can request a quote for ChemDiv1_010798 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010798?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010798 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.