C14H17ClN2OS2
TL;DR: C14H17ClN2OS2 (CAS 903858-97-9) is a chemical compound with molecular formula C14H17ClN2OS2 and molecular weight 328.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-11,11-dimethyl-4-propan-2-ylsulfanyl-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 4-chloro-2-(isopropylthio)-7,7-dimethyl-7,9-dihydro-6H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidine, 4-chloro-7,7-dimethyl-2-(propan-2-ylsulfanyl)-6,9-dihydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C14H17ClN2OS2 |
|---|---|
| Molecular Weight | 328.05 g/mol |
| LogP | 4.6965 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.0471 |
| Heavy Atoms | 20 |
| Complexity | 666.7279 |
Chemical Identifiers
| CAS Number | 903858-97-9 |
|---|---|
| SMILES | CC(C)SC1=NC2=C(C(=N1)Cl)SC3=C2COC(C3)(C)C |
Product Overview
C14H17ClN2OS2 (CAS 903858-97-9), with molecular formula C14H17ClN2OS2 and molecular weight 328.05 g/mol. IUPAC: 6-chloro-11,11-dimethyl-4-propan-2-ylsulfanyl-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of C14H17ClN2OS2
Property Insights of C14H17ClN2OS2
The XLogP value of 4.6965 indicates that C14H17ClN2OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, C14H17ClN2OS2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C14H17ClN2OS2 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 C14H17ClN2OS2?
The CAS number of C14H17ClN2OS2 is 903858-97-9.
What is the molecular formula of C14H17ClN2OS2?
The molecular formula of C14H17ClN2OS2 is C14H17ClN2OS2.
What is the molecular weight of C14H17ClN2OS2?
The molecular weight of C14H17ClN2OS2 is 328.05 g/mol.
Where can I buy C14H17ClN2OS2?
You can request a quote for C14H17ClN2OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H17ClN2OS2?
Yes, KEHONG BIO provides custom synthesis services for C14H17ClN2OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.