C13H13ClN4OS
TL;DR: C13H13ClN4OS (CAS 848867-94-7) is a chemical compound with molecular formula C13H13ClN4OS and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2E)-2-[1-(4-chlorophenyl)sulfanylpropan-2-ylidene]hydrazinyl]-1H-pyrimidin-2-one
Also Known As: (E)-4-(2-(1-((4-chlorophenyl)thio)propan-2-ylidene)hydrazinyl)pyrimidin-2(1H)-one, 4-[(2E)-2-{1-[(4-chlorophenyl)sulfanyl]propan-2-ylidene}hydrazinyl]pyrimidin-2(1H)-one
| Molecular Formula | C13H13ClN4OS |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 3.0034 |
| Topological Polar Surface Area | 70.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.04987 |
| Heavy Atoms | 20 |
| Complexity | 653.9208 |
Chemical Identifiers
| CAS Number | 848867-94-7 |
|---|---|
| SMILES | C/C(=N\NC1=CC=NC(=O)N1)/CSC2=CC=C(C=C2)Cl |
Product Overview
C13H13ClN4OS (CAS 848867-94-7), with molecular formula C13H13ClN4OS and molecular weight 308.05 g/mol. IUPAC: 6-[(2E)-2-[1-(4-chlorophenyl)sulfanylpropan-2-ylidene]hydrazinyl]-1H-pyrimidin-2-one.
Chemical Property Profile of C13H13ClN4OS
Property Insights of C13H13ClN4OS
The XLogP value of 3.0034 indicates that C13H13ClN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.14 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H13ClN4OS. Following Lipinski's Rule of Five, C13H13ClN4OS has 2 hydrogen bond donor(s) and 5 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 C13H13ClN4OS?
The CAS number of C13H13ClN4OS is 848867-94-7.
What is the molecular formula of C13H13ClN4OS?
The molecular formula of C13H13ClN4OS is C13H13ClN4OS.
What is the molecular weight of C13H13ClN4OS?
The molecular weight of C13H13ClN4OS is 308.05 g/mol.
Where can I buy C13H13ClN4OS?
You can request a quote for C13H13ClN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H13ClN4OS?
Yes, KEHONG BIO provides custom synthesis services for C13H13ClN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.