ChemDiv3_001088
TL;DR: ChemDiv3_001088 (CAS 312596-36-4) is a chemical compound with molecular formula C24H22N2O2S and molecular weight 402.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2,2-diphenylacetamide
Also Known As: ChemDiv3_001088, IDI1_020054, N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-2,2-diphenylacetamide, AB00102113-01, BRD-K68368258-001-01-2
| Molecular Formula | C24H22N2O2S |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 5.24168 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.1402 |
| Heavy Atoms | 29 |
| Complexity | 1026.0101 |
Chemical Identifiers
| CAS Number | 312596-36-4 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC(=C2C#N)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C |
Product Overview
ChemDiv3_001088 (CAS 312596-36-4), with molecular formula C24H22N2O2S and molecular weight 402.14 g/mol. IUPAC: N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2,2-diphenylacetamide.
Chemical Property Profile of ChemDiv3_001088
Property Insights of ChemDiv3_001088
The XLogP value of 5.24168 indicates that ChemDiv3_001088 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001088. Following Lipinski's Rule of Five, ChemDiv3_001088 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_001088?
The CAS number of ChemDiv3_001088 is 312596-36-4.
What is the molecular formula of ChemDiv3_001088?
The molecular formula of ChemDiv3_001088 is C24H22N2O2S.
What is the molecular weight of ChemDiv3_001088?
The molecular weight of ChemDiv3_001088 is 402.14 g/mol.
Where can I buy ChemDiv3_001088?
You can request a quote for ChemDiv3_001088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001088?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.