ChemDiv3_004121
TL;DR: ChemDiv3_004121 (CAS 381206-27-5) is a chemical compound with molecular formula C16H17N3OS2 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-ethylsulfanyl-5,5-dimethyl-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: ChemDiv3_004121, IDI1_022031, BRD-K58404747-001-01-6, 4-(ethylsulfanyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 4-(ethylthio)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C16H17N3OS2 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 4.2028 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.0813 |
| Heavy Atoms | 22 |
| Complexity | 872.57513 |
Chemical Identifiers
| CAS Number | 381206-27-5 |
|---|---|
| SMILES | CCSC1=NC=NC2=C1SC3=C2C=C4COC(CC4=N3)(C)C |
Product Overview
ChemDiv3_004121 (CAS 381206-27-5), with molecular formula C16H17N3OS2 and molecular weight 331.08 g/mol. IUPAC: 15-ethylsulfanyl-5,5-dimethyl-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 ChemDiv3_004121
Property Insights of ChemDiv3_004121
The XLogP value of 4.2028 indicates that ChemDiv3_004121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, ChemDiv3_004121 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004121 has 0 hydrogen bond donor(s) and 6 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 ChemDiv3_004121?
The CAS number of ChemDiv3_004121 is 381206-27-5.
What is the molecular formula of ChemDiv3_004121?
The molecular formula of ChemDiv3_004121 is C16H17N3OS2.
What is the molecular weight of ChemDiv3_004121?
The molecular weight of ChemDiv3_004121 is 331.08 g/mol.
Where can I buy ChemDiv3_004121?
You can request a quote for ChemDiv3_004121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004121?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.