A3599/0152468
TL;DR: A3599/0152468 (CAS 499210-31-0) is a chemical compound with molecular formula C20H20N4O2S2 and molecular weight 412.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-7-(2-phenylethyl)-3-sulfanylidene-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one
Also Known As: A3599/0152468, 1-mercapto-7,7-dimethyl-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one, 7,7-dimethyl-4-(2-phenylethyl)-1-sulfanyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 7,7-dimethyl-4-(2-phenylethyl)-1-thioxo-2,4,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one, 7,7-DIMETHYL-4-PHENETHYL-1-SULFANYL-6,9-DIHYDRO-7H-PYRANO[4',3':4,5]THIENO[3,2-E][1,2,4]TRIAZOLO[4,3-A]PYRIMIDIN-5(4H)-ONE
| Molecular Formula | C20H20N4O2S2 |
|---|---|
| Molecular Weight | 412.10 g/mol |
| LogP | 3.86229 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.10278 |
| Heavy Atoms | 28 |
| Complexity | 1311.4696 |
Chemical Identifiers
| CAS Number | 499210-31-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NNC(=S)N34)CCC5=CC=CC=C5)C |
Product Overview
A3599/0152468 (CAS 499210-31-0), with molecular formula C20H20N4O2S2 and molecular weight 412.10 g/mol. IUPAC: 12,12-dimethyl-7-(2-phenylethyl)-3-sulfanylidene-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one.
Chemical Property Profile of A3599/0152468
Property Insights of A3599/0152468
The XLogP value of 3.86229 indicates that A3599/0152468 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for A3599/0152468. Following Lipinski's Rule of Five, A3599/0152468 has 1 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 A3599/0152468?
The CAS number of A3599/0152468 is 499210-31-0.
What is the molecular formula of A3599/0152468?
The molecular formula of A3599/0152468 is C20H20N4O2S2.
What is the molecular weight of A3599/0152468?
The molecular weight of A3599/0152468 is 412.10 g/mol.
Where can I buy A3599/0152468?
You can request a quote for A3599/0152468 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3599/0152468?
Yes, KEHONG BIO provides custom synthesis services for A3599/0152468 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.