CAS 445428-94-4 - C27H26N2O7S
TL;DR: CAS 445428-94-4 - C27H26N2O7S (CAS 445428-94-4) is a chemical compound with molecular formula C27H26N2O7S and molecular weight 522.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-5-(3,4-diethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: methyl 2-(1,3-benzodioxol-5-ylmethylene)-5-(3,4-diethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C27H26N2O7S |
|---|---|
| Molecular Weight | 522.15 g/mol |
| LogP | 2.9343 |
| Topological Polar Surface Area | 97.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.14606 |
| Heavy Atoms | 37 |
| Complexity | 1584.8893 |
Chemical Identifiers
| CAS Number | 445428-94-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)/C(=C/C4=CC5=C(C=C4)OCO5)/S3)C)C(=O)OC)OCC |
Product Overview
CAS 445428-94-4 - C27H26N2O7S (CAS 445428-94-4), with molecular formula C27H26N2O7S and molecular weight 522.15 g/mol. IUPAC: methyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-5-(3,4-diethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of CAS 445428-94-4 - C27H26N2O7S
Property Insights of CAS 445428-94-4 - C27H26N2O7S
The XLogP value of 2.9343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CAS 445428-94-4 - C27H26N2O7S. The TPSA of 97.58 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 445428-94-4 - C27H26N2O7S. Following Lipinski's Rule of Five, CAS 445428-94-4 - C27H26N2O7S 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 CAS 445428-94-4 - C27H26N2O7S?
The CAS number of CAS 445428-94-4 - C27H26N2O7S is 445428-94-4.
What is the molecular formula of CAS 445428-94-4 - C27H26N2O7S?
The molecular formula of CAS 445428-94-4 - C27H26N2O7S is C27H26N2O7S.
What is the molecular weight of CAS 445428-94-4 - C27H26N2O7S?
The molecular weight of CAS 445428-94-4 - C27H26N2O7S is 522.15 g/mol.
Where can I buy CAS 445428-94-4 - C27H26N2O7S?
You can request a quote for CAS 445428-94-4 - C27H26N2O7S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 445428-94-4 - C27H26N2O7S?
Yes, KEHONG BIO provides custom synthesis services for CAS 445428-94-4 - C27H26N2O7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.