C25H16ClN5O3S
TL;DR: C25H16ClN5O3S (CAS 845799-60-2) is a chemical compound with molecular formula C25H16ClN5O3S and molecular weight 501.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-methylbenzoate
Also Known As: (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzoate, [2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-methylbenzoate, 2-chloro-4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl 4-methylbenzoate
| Molecular Formula | C25H16ClN5O3S |
|---|---|
| Molecular Weight | 501.07 g/mol |
| LogP | 4.93009 |
| Topological Polar Surface Area | 108.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.06622 |
| Heavy Atoms | 35 |
| Complexity | 1466.1775 |
Chemical Identifiers
| CAS Number | 845799-60-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)Cl |
Product Overview
C25H16ClN5O3S (CAS 845799-60-2), with molecular formula C25H16ClN5O3S and molecular weight 501.07 g/mol. IUPAC: [2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-methylbenzoate.
Chemical Property Profile of C25H16ClN5O3S
Property Insights of C25H16ClN5O3S
The XLogP value of 4.93009 indicates that C25H16ClN5O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.07 Ų falls within the moderate polarity range, balancing permeability and solubility for C25H16ClN5O3S. Following Lipinski's Rule of Five, C25H16ClN5O3S has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H16ClN5O3S?
The CAS number of C25H16ClN5O3S is 845799-60-2.
What is the molecular formula of C25H16ClN5O3S?
The molecular formula of C25H16ClN5O3S is C25H16ClN5O3S.
What is the molecular weight of C25H16ClN5O3S?
The molecular weight of C25H16ClN5O3S is 501.07 g/mol.
Where can I buy C25H16ClN5O3S?
You can request a quote for C25H16ClN5O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H16ClN5O3S?
Yes, KEHONG BIO provides custom synthesis services for C25H16ClN5O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.