AB00102115-01
TL;DR: AB00102115-01 (CAS 364615-08-7) is a chemical compound with molecular formula C22H26N2O3S and molecular weight 398.17 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)-4-(3-methylbutoxy)benzamide
Also Known As: AB00102115-01, N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-4-(3-methylbutoxy)benzamide, N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-4-(3-methylbutoxy)benzamide, N~1~-(3-CYANO-5,5-DIMETHYL-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-2-YL)-4-(ISOPENTYLOXY)BENZAMIDE
| Molecular Formula | C22H26N2O3S |
|---|---|
| Molecular Weight | 398.17 g/mol |
| LogP | 5.14828 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.1664 |
| Heavy Atoms | 28 |
| Complexity | 891.7411 |
Chemical Identifiers
| CAS Number | 364615-08-7 |
|---|---|
| SMILES | CC(C)CCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)COC(C3)(C)C)C#N |
Product Overview
AB00102115-01 (CAS 364615-08-7), with molecular formula C22H26N2O3S and molecular weight 398.17 g/mol. IUPAC: N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-4-(3-methylbutoxy)benzamide.
Chemical Property Profile of AB00102115-01
Property Insights of AB00102115-01
The XLogP value of 5.14828 indicates that AB00102115-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00102115-01. Following Lipinski's Rule of Five, AB00102115-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00102115-01?
The CAS number of AB00102115-01 is 364615-08-7.
What is the molecular formula of AB00102115-01?
The molecular formula of AB00102115-01 is C22H26N2O3S.
What is the molecular weight of AB00102115-01?
The molecular weight of AB00102115-01 is 398.17 g/mol.
Where can I buy AB00102115-01?
You can request a quote for AB00102115-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00102115-01?
Yes, KEHONG BIO provides custom synthesis services for AB00102115-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.