C17H18ClN3OS
TL;DR: C17H18ClN3OS (CAS 889409-95-4) is a chemical compound with molecular formula C17H18ClN3OS and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-chloro-5,5-dimethyl-13-propyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaene
Also Known As: 4-chloro-8,8-dimethyl-2-propyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 4-chloro-8,8-dimethyl-2-propyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C17H18ClN3OS |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 4.6967 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.0859 |
| Heavy Atoms | 23 |
| Complexity | 919.2239 |
Chemical Identifiers
| CAS Number | 889409-95-4 |
|---|---|
| SMILES | CCCC1=NC2=C(C(=N1)Cl)SC3=C2C=C4COC(CC4=N3)(C)C |
Product Overview
C17H18ClN3OS (CAS 889409-95-4), with molecular formula C17H18ClN3OS and molecular weight 347.09 g/mol. IUPAC: 15-chloro-5,5-dimethyl-13-propyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaene.
Chemical Property Profile of C17H18ClN3OS
Property Insights of C17H18ClN3OS
The XLogP value of 4.6967 indicates that C17H18ClN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, C17H18ClN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H18ClN3OS has 0 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 C17H18ClN3OS?
The CAS number of C17H18ClN3OS is 889409-95-4.
What is the molecular formula of C17H18ClN3OS?
The molecular formula of C17H18ClN3OS is C17H18ClN3OS.
What is the molecular weight of C17H18ClN3OS?
The molecular weight of C17H18ClN3OS is 347.09 g/mol.
Where can I buy C17H18ClN3OS?
You can request a quote for C17H18ClN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H18ClN3OS?
Yes, KEHONG BIO provides custom synthesis services for C17H18ClN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.