C15H20ClN3O2S
TL;DR: C15H20ClN3O2S (CAS 1049698-20-5) is a chemical compound with molecular formula C15H20ClN3O2S and molecular weight 341.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,13,13-trimethyl-14-oxa-17-thia-2,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),6,11(16)-trien-9-one;hydrochloride
Also Known As: 5,8,8-trimethyl-2,3,5,7,8,10-hexahydropyrano[4',3':4,5]thieno[3,2-e]pyrimido[1,2-a]pyrimidin-6(1H)-one hydrochloride, 5,8,8-Trimethyl-1,2,3,5,7,10-hexahydro-8H-9-oxa-11-thia-4,5,11b-triaza-benzo[a]fluoren-6-one
| Molecular Formula | C15H20ClN3O2S |
|---|---|
| Molecular Weight | 341.10 g/mol |
| LogP | 2.6729 |
| Topological Polar Surface Area | 45.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 341.09647 |
| Heavy Atoms | 22 |
| Complexity | 667.99 |
Chemical Identifiers
| CAS Number | 1049698-20-5 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NCCCN34)C)C.Cl |
Product Overview
C15H20ClN3O2S (CAS 1049698-20-5), with molecular formula C15H20ClN3O2S and molecular weight 341.10 g/mol. IUPAC: 8,13,13-trimethyl-14-oxa-17-thia-2,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),6,11(16)-trien-9-one;hydrochloride.
Chemical Property Profile of C15H20ClN3O2S
Property Insights of C15H20ClN3O2S
The XLogP value of 2.6729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C15H20ClN3O2S. With a topological polar surface area (TPSA) of 45.14 Ų, C15H20ClN3O2S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C15H20ClN3O2S 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 C15H20ClN3O2S?
The CAS number of C15H20ClN3O2S is 1049698-20-5.
What is the molecular formula of C15H20ClN3O2S?
The molecular formula of C15H20ClN3O2S is C15H20ClN3O2S.
What is the molecular weight of C15H20ClN3O2S?
The molecular weight of C15H20ClN3O2S is 341.10 g/mol.
Where can I buy C15H20ClN3O2S?
You can request a quote for C15H20ClN3O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H20ClN3O2S?
Yes, KEHONG BIO provides custom synthesis services for C15H20ClN3O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.