Tox21_300247
TL;DR: Tox21_300247 (CAS 344930-95-6) is a chemical compound with molecular formula C27H32N4O7S and molecular weight 556.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-1,1-dioxo-2-[[4-oxo-9-(2-piperidin-1-ylethoxy)pyrido[1,2-a]pyrimidin-2-yl]oxymethyl]-4-propan-2-yl-1,2-benzothiazol-3-one
Also Known As: Tox21_300247, SID:381756631, 6-methoxy-1,1-dioxo-2-[[4-oxo-9-(2-piperidin-1-ylethoxy)pyrido[1,2-a]pyrimidin-2-yl]oxymethyl]-4-propan-2-yl-1,2-benzothiazol-3-one, CAS-344930-95-6, J3.789.104E
| Molecular Formula | C27H32N4O7S |
|---|---|
| Molecular Weight | 556.20 g/mol |
| LogP | 2.8722 |
| Topological Polar Surface Area | 119.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 556.19916 |
| Heavy Atoms | 39 |
| Complexity | 1562.3342 |
Chemical Identifiers
| CAS Number | 344930-95-6 |
|---|---|
| SMILES | CC(C)C1=C2C(=CC(=C1)OC)S(=O)(=O)N(C2=O)COC3=CC(=O)N4C=CC=C(C4=N3)OCCN5CCCCC5 |
Product Overview
Tox21_300247 (CAS 344930-95-6), with molecular formula C27H32N4O7S and molecular weight 556.20 g/mol. IUPAC: 6-methoxy-1,1-dioxo-2-[[4-oxo-9-(2-piperidin-1-ylethoxy)pyrido[1,2-a]pyrimidin-2-yl]oxymethyl]-4-propan-2-yl-1,2-benzothiazol-3-one.
Chemical Property Profile of Tox21_300247
Property Insights of Tox21_300247
The XLogP value of 2.8722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tox21_300247. The TPSA of 119.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Tox21_300247. Following Lipinski's Rule of Five, Tox21_300247 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tox21_300247?
The CAS number of Tox21_300247 is 344930-95-6.
What is the molecular formula of Tox21_300247?
The molecular formula of Tox21_300247 is C27H32N4O7S.
What is the molecular weight of Tox21_300247?
The molecular weight of Tox21_300247 is 556.20 g/mol.
Where can I buy Tox21_300247?
You can request a quote for Tox21_300247 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tox21_300247?
Yes, KEHONG BIO provides custom synthesis services for Tox21_300247 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.