ChemDiv2_004976
TL;DR: ChemDiv2_004976 (CAS 340818-10-2) is a chemical compound with molecular formula C27H21N5O3S and molecular weight 495.14 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-phenyl-2-pyridinyl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate
Also Known As: ChemDiv2_004976, IDI1_003691, ethyl 6-amino-5-cyano-2-{[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]methyl}-4-(pyridin-3-yl)-4H-pyran-3-carboxylate, Ethyl 6-amino-5-cyano-2-(((3-cyano-6-phenylpyridin-2-yl)thio)methyl)-4-(pyridin-3-yl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenylpyridin-2-yl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate
| Molecular Formula | C27H21N5O3S |
|---|---|
| Molecular Weight | 495.14 g/mol |
| LogP | 4.43246 |
| Topological Polar Surface Area | 134.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.1365 |
| Heavy Atoms | 36 |
| Complexity | 1423.2583 |
Chemical Identifiers
| CAS Number | 340818-10-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N |
Product Overview
ChemDiv2_004976 (CAS 340818-10-2), with molecular formula C27H21N5O3S and molecular weight 495.14 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv2_004976
Property Insights of ChemDiv2_004976
The XLogP value of 4.43246 indicates that ChemDiv2_004976 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004976. Following Lipinski's Rule of Five, ChemDiv2_004976 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 ChemDiv2_004976?
The CAS number of ChemDiv2_004976 is 340818-10-2.
What is the molecular formula of ChemDiv2_004976?
The molecular formula of ChemDiv2_004976 is C27H21N5O3S.
What is the molecular weight of ChemDiv2_004976?
The molecular weight of ChemDiv2_004976 is 495.14 g/mol.
Where can I buy ChemDiv2_004976?
You can request a quote for ChemDiv2_004976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004976?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.