ChemDiv2_004852
TL;DR: ChemDiv2_004852 (CAS 1164513-03-4) is a chemical compound with molecular formula C17H17NOS2 and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-phenyl-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-one
Also Known As: ChemDiv2_004852, IDI1_003567, 9-phenyl-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one, 9-phenyl-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-one, 9-phenyl-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one
| Molecular Formula | C17H17NOS2 |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 4.0887 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.07516 |
| Heavy Atoms | 21 |
| Complexity | 734.7484 |
Chemical Identifiers
| CAS Number | 1164513-03-4 |
|---|---|
| SMILES | C1CC2CC1C3C2SC4=C(C3C5=CC=CC=C5)SC(=O)N4 |
Product Overview
ChemDiv2_004852 (CAS 1164513-03-4), with molecular formula C17H17NOS2 and molecular weight 315.08 g/mol. IUPAC: 9-phenyl-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-one.
Chemical Property Profile of ChemDiv2_004852
Property Insights of ChemDiv2_004852
The XLogP value of 4.0887 indicates that ChemDiv2_004852 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.86 Ų, ChemDiv2_004852 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_004852 has 1 hydrogen bond donor(s) and 3 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 ChemDiv2_004852?
The CAS number of ChemDiv2_004852 is 1164513-03-4.
What is the molecular formula of ChemDiv2_004852?
The molecular formula of ChemDiv2_004852 is C17H17NOS2.
What is the molecular weight of ChemDiv2_004852?
The molecular weight of ChemDiv2_004852 is 315.08 g/mol.
Where can I buy ChemDiv2_004852?
You can request a quote for ChemDiv2_004852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004852?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.