MixCom6_002332
TL;DR: MixCom6_002332 (CAS 6252-72-8) is a chemical compound with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-[(5-imino-7-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoate
Also Known As: MixCom6_002332, ethyl 4-[5-[(5-imino-7-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoate, ethyl 4-[5-[(Z)-(5-imino-7-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoate
| Molecular Formula | C22H20N4O4S |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 4.54257 |
| Topological Polar Surface Area | 108.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.1205 |
| Heavy Atoms | 31 |
| Complexity | 1144.5156 |
Chemical Identifiers
| CAS Number | 6252-72-8 |
|---|---|
| SMILES | CCCC1=NN2C(=N)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)OCC)C(=O)N=C2S1 |
Product Overview
MixCom6_002332 (CAS 6252-72-8), with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol. IUPAC: ethyl 4-[5-[(5-imino-7-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoate.
Chemical Property Profile of MixCom6_002332
Property Insights of MixCom6_002332
The XLogP value of 4.54257 indicates that MixCom6_002332 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.32 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002332. Following Lipinski's Rule of Five, MixCom6_002332 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MixCom6_002332?
The CAS number of MixCom6_002332 is 6252-72-8.
What is the molecular formula of MixCom6_002332?
The molecular formula of MixCom6_002332 is C22H20N4O4S.
What is the molecular weight of MixCom6_002332?
The molecular weight of MixCom6_002332 is 436.12 g/mol.
Where can I buy MixCom6_002332?
You can request a quote for MixCom6_002332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002332?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.