ASN 12772636
TL;DR: ASN 12772636 (CAS 878729-11-4) is a chemical compound with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yloxy)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)acetamide
Also Known As: ASN 12772636, 2-(1,3-benzodioxol-5-yloxy)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)acetamide, 2-(1,3-benzodioxol-5-yloxy)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide, 2-(2H-1,3-BENZODIOXOL-5-YLOXY)-N-(5,5-DIMETHYL-7-OXO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-YL)ACETAMIDE, 2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)-N-(5,5-dimethyl-7-oxo(4,5,6-trihydrobe nzothiazol-2-yl))acetamide
| Molecular Formula | C18H18N2O5S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 3.0444 |
| Topological Polar Surface Area | 86.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.09363 |
| Heavy Atoms | 26 |
| Complexity | 889.7018 |
Chemical Identifiers
| CAS Number | 878729-11-4 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)COC3=CC4=C(C=C3)OCO4)C |
Product Overview
ASN 12772636 (CAS 878729-11-4), with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yloxy)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of ASN 12772636
Property Insights of ASN 12772636
The XLogP value of 3.0444 indicates that ASN 12772636 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 12772636. Following Lipinski's Rule of Five, ASN 12772636 has 1 hydrogen bond donor(s) and 7 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 ASN 12772636?
The CAS number of ASN 12772636 is 878729-11-4.
What is the molecular formula of ASN 12772636?
The molecular formula of ASN 12772636 is C18H18N2O5S.
What is the molecular weight of ASN 12772636?
The molecular weight of ASN 12772636 is 374.09 g/mol.
Where can I buy ASN 12772636?
You can request a quote for ASN 12772636 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 12772636?
Yes, KEHONG BIO provides custom synthesis services for ASN 12772636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.