Notum pectinacetylesterase-1
TL;DR: Notum pectinacetylesterase-1 (CAS 460727-10-0) is a chemical compound with molecular formula C14H14N4O2S2 and molecular weight 334.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: Notum pectinacetylesterase-1, 2-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide, 2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide, 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
| Molecular Formula | C14H14N4O2S2 |
|---|---|
| Molecular Weight | 334.06 g/mol |
| LogP | 3.33536 |
| Topological Polar Surface Area | 80.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.05582 |
| Heavy Atoms | 22 |
| Complexity | 840.60065 |
Chemical Identifiers
| CAS Number | 460727-10-0 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NC=NC3=C2C(=C(S3)C)C |
Product Overview
Notum pectinacetylesterase-1 (CAS 460727-10-0), with molecular formula C14H14N4O2S2 and molecular weight 334.06 g/mol. IUPAC: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of Notum pectinacetylesterase-1
Property Insights of Notum pectinacetylesterase-1
The XLogP value of 3.33536 indicates that Notum pectinacetylesterase-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Notum pectinacetylesterase-1. Following Lipinski's Rule of Five, Notum pectinacetylesterase-1 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 Notum pectinacetylesterase-1?
The CAS number of Notum pectinacetylesterase-1 is 460727-10-0.
What is the molecular formula of Notum pectinacetylesterase-1?
The molecular formula of Notum pectinacetylesterase-1 is C14H14N4O2S2.
What is the molecular weight of Notum pectinacetylesterase-1?
The molecular weight of Notum pectinacetylesterase-1 is 334.06 g/mol.
Where can I buy Notum pectinacetylesterase-1?
You can request a quote for Notum pectinacetylesterase-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Notum pectinacetylesterase-1?
Yes, KEHONG BIO provides custom synthesis services for Notum pectinacetylesterase-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.