C30H25ClN2O4S
TL;DR: C30H25ClN2O4S (CAS 444181-70-8) is a chemical compound with molecular formula C30H25ClN2O4S and molecular weight 544.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14Z)-11-(2-chlorophenyl)-14-[(3,4,5-trimethoxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
Also Known As: (10Z)-7-(2-chlorophenyl)-10-(3,4,5-trimethoxybenzylidene)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one, (Z)-7-(2-chlorophenyl)-10-(3,4,5-trimethoxybenzylidene)-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one
| Molecular Formula | C30H25ClN2O4S |
|---|---|
| Molecular Weight | 544.12 g/mol |
| LogP | 4.9979 |
| Topological Polar Surface Area | 62.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 544.1224 |
| Heavy Atoms | 38 |
| Complexity | 1761.4177 |
Chemical Identifiers
| CAS Number | 444181-70-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC=CC=C6Cl |
Product Overview
C30H25ClN2O4S (CAS 444181-70-8), with molecular formula C30H25ClN2O4S and molecular weight 544.12 g/mol. IUPAC: (14Z)-11-(2-chlorophenyl)-14-[(3,4,5-trimethoxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one.
Chemical Property Profile of C30H25ClN2O4S
Property Insights of C30H25ClN2O4S
The XLogP value of 4.9979 indicates that C30H25ClN2O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.05 Ų falls within the moderate polarity range, balancing permeability and solubility for C30H25ClN2O4S. Following Lipinski's Rule of Five, C30H25ClN2O4S has 0 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 C30H25ClN2O4S?
The CAS number of C30H25ClN2O4S is 444181-70-8.
What is the molecular formula of C30H25ClN2O4S?
The molecular formula of C30H25ClN2O4S is C30H25ClN2O4S.
What is the molecular weight of C30H25ClN2O4S?
The molecular weight of C30H25ClN2O4S is 544.12 g/mol.
Where can I buy C30H25ClN2O4S?
You can request a quote for C30H25ClN2O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C30H25ClN2O4S?
Yes, KEHONG BIO provides custom synthesis services for C30H25ClN2O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.