C30H34N4O2S2
TL;DR: C30H34N4O2S2 (CAS 797016-55-8) is a chemical compound with molecular formula C30H34N4O2S2 and molecular weight 546.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-8-morpholin-4-yl-13-[(E)-5-phenylhex-2-enyl]sulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
Also Known As: (E)-2,2-dimethyl-5-morpholino-8-((5-phenylhex-2-en-1-yl)thio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 2,2-dimethyl-5-(morpholin-4-yl)-8-{[(2E)-5-phenylhex-2-en-1-yl]sulfanyl}-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C30H34N4O2S2 |
|---|---|
| Molecular Weight | 546.21 g/mol |
| LogP | 6.7695 |
| Topological Polar Surface Area | 60.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 546.21234 |
| Heavy Atoms | 38 |
| Complexity | 1461.9224 |
Chemical Identifiers
| CAS Number | 797016-55-8 |
|---|---|
| SMILES | CC(C/C=C/CSC1=NC=NC2=C1SC3=C2C4=C(COC(C4)(C)C)C(=N3)N5CCOCC5)C6=CC=CC=C6 |
Product Overview
C30H34N4O2S2 (CAS 797016-55-8), with molecular formula C30H34N4O2S2 and molecular weight 546.21 g/mol. IUPAC: 4,4-dimethyl-8-morpholin-4-yl-13-[(E)-5-phenylhex-2-enyl]sulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene.
Chemical Property Profile of C30H34N4O2S2
Property Insights of C30H34N4O2S2
The XLogP value of 6.7695 indicates that C30H34N4O2S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.37 Ų falls within the moderate polarity range, balancing permeability and solubility for C30H34N4O2S2. Following Lipinski's Rule of Five, C30H34N4O2S2 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C30H34N4O2S2?
The CAS number of C30H34N4O2S2 is 797016-55-8.
What is the molecular formula of C30H34N4O2S2?
The molecular formula of C30H34N4O2S2 is C30H34N4O2S2.
What is the molecular weight of C30H34N4O2S2?
The molecular weight of C30H34N4O2S2 is 546.21 g/mol.
Where can I buy C30H34N4O2S2?
You can request a quote for C30H34N4O2S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C30H34N4O2S2?
Yes, KEHONG BIO provides custom synthesis services for C30H34N4O2S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.