C30H19N5OS2
TL;DR: C30H19N5OS2 (CAS 848765-46-8) is a chemical compound with molecular formula C30H19N5OS2 and molecular weight 529.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-phenyl-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
Also Known As: 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-14-phenyl-14H-benzo[5,6]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-((benzo[d]thiazol-2-ylthio)methyl)-14-phenyl-14H-benzo[5,6]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C30H19N5OS2 |
|---|---|
| Molecular Weight | 529.10 g/mol |
| LogP | 7.4654 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 529.1031 |
| Heavy Atoms | 38 |
| Complexity | 1949.0164 |
Chemical Identifiers
| CAS Number | 848765-46-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C6=NC(=NN6C=N5)CSC7=NC8=CC=CC=C8S7 |
Product Overview
C30H19N5OS2 (CAS 848765-46-8), with molecular formula C30H19N5OS2 and molecular weight 529.10 g/mol. IUPAC: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-phenyl-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene.
Chemical Property Profile of C30H19N5OS2
Property Insights of C30H19N5OS2
The XLogP value of 7.4654 indicates that C30H19N5OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for C30H19N5OS2. Following Lipinski's Rule of Five, C30H19N5OS2 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C30H19N5OS2?
The CAS number of C30H19N5OS2 is 848765-46-8.
What is the molecular formula of C30H19N5OS2?
The molecular formula of C30H19N5OS2 is C30H19N5OS2.
What is the molecular weight of C30H19N5OS2?
The molecular weight of C30H19N5OS2 is 529.10 g/mol.
Where can I buy C30H19N5OS2?
You can request a quote for C30H19N5OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C30H19N5OS2?
Yes, KEHONG BIO provides custom synthesis services for C30H19N5OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.