C27H30N4O3S
TL;DR: C27H30N4O3S (CAS 862209-81-2) is a chemical compound with molecular formula C27H30N4O3S and molecular weight 490.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[[4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-(4-(2-(3,5-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-6-[[4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-{4-[2-(3,5-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C27H30N4O3S |
|---|---|
| Molecular Weight | 490.20 g/mol |
| LogP | 5.81661 |
| Topological Polar Surface Area | 87.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.20386 |
| Heavy Atoms | 35 |
| Complexity | 1193.1823 |
Chemical Identifiers
| CAS Number | 862209-81-2 |
|---|---|
| SMILES | CCC(CC)C1=NN2C(=N)/C(=C\C3=CC=C(C=C3)OCCOC4=CC(=CC(=C4)C)C)/C(=O)N=C2S1 |
Product Overview
C27H30N4O3S (CAS 862209-81-2), with molecular formula C27H30N4O3S and molecular weight 490.20 g/mol. IUPAC: (6E)-6-[[4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of C27H30N4O3S
Property Insights of C27H30N4O3S
The XLogP value of 5.81661 indicates that C27H30N4O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.34 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H30N4O3S. Following Lipinski's Rule of Five, C27H30N4O3S has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C27H30N4O3S?
The CAS number of C27H30N4O3S is 862209-81-2.
What is the molecular formula of C27H30N4O3S?
The molecular formula of C27H30N4O3S is C27H30N4O3S.
What is the molecular weight of C27H30N4O3S?
The molecular weight of C27H30N4O3S is 490.20 g/mol.
Where can I buy C27H30N4O3S?
You can request a quote for C27H30N4O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H30N4O3S?
Yes, KEHONG BIO provides custom synthesis services for C27H30N4O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.