C33H29N3O3S
TL;DR: C33H29N3O3S (CAS 590396-99-9) is a chemical compound with molecular formula C33H29N3O3S and molecular weight 547.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14Z)-11-(2,3-dimethoxyphenyl)-14-[(1-ethylindol-3-yl)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-(2,3-dimethoxyphenyl)-10-[(1-ethyl-1H-indol-3-yl)methylidene]-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one, (Z)-7-(2,3-dimethoxyphenyl)-10-((1-ethyl-1H-indol-3-yl)methylene)-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one
| Molecular Formula | C33H29N3O3S |
|---|---|
| Molecular Weight | 547.19 g/mol |
| LogP | 5.3105 |
| Topological Polar Surface Area | 57.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 547.193 |
| Heavy Atoms | 40 |
| Complexity | 2010.647 |
Chemical Identifiers
| CAS Number | 590396-99-9 |
|---|---|
| SMILES | CCN1C=C(C2=CC=CC=C21)/C=C\3/C(=O)N4C(C5=C(C6=CC=CC=C6CC5)N=C4S3)C7=C(C(=CC=C7)OC)OC |
Product Overview
C33H29N3O3S (CAS 590396-99-9), with molecular formula C33H29N3O3S and molecular weight 547.19 g/mol. IUPAC: (14Z)-11-(2,3-dimethoxyphenyl)-14-[(1-ethylindol-3-yl)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 C33H29N3O3S
Property Insights of C33H29N3O3S
The XLogP value of 5.3105 indicates that C33H29N3O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.75 Ų, C33H29N3O3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C33H29N3O3S has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C33H29N3O3S?
The CAS number of C33H29N3O3S is 590396-99-9.
What is the molecular formula of C33H29N3O3S?
The molecular formula of C33H29N3O3S is C33H29N3O3S.
What is the molecular weight of C33H29N3O3S?
The molecular weight of C33H29N3O3S is 547.19 g/mol.
Where can I buy C33H29N3O3S?
You can request a quote for C33H29N3O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C33H29N3O3S?
Yes, KEHONG BIO provides custom synthesis services for C33H29N3O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.