ChemDiv1_006137
TL;DR: ChemDiv1_006137 (CAS 306293-99-2) is a chemical compound with molecular formula C18H21BrN2O2S2 and molecular weight 440.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-bromoprop-2-enylsulfanyl)-12,12-dimethyl-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: ChemDiv1_006137, BAS 01579972, AJ-292/13330189, 2-(2-bromoprop-2-enylsulfanyl)-6,6-dimethyl-3-(2-methylprop-2-enyl)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one, 2-[(2-bromo-2-propenyl)sulfanyl]-6,6-dimethyl-3-(2-methyl-2-propenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C18H21BrN2O2S2 |
|---|---|
| Molecular Weight | 440.02 g/mol |
| LogP | 4.8861 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.02277 |
| Heavy Atoms | 25 |
| Complexity | 927.2795 |
Chemical Identifiers
| CAS Number | 306293-99-2 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC(=C)Br)SC3=C2CC(OC3)(C)C |
Product Overview
ChemDiv1_006137 (CAS 306293-99-2), with molecular formula C18H21BrN2O2S2 and molecular weight 440.02 g/mol. IUPAC: 5-(2-bromoprop-2-enylsulfanyl)-12,12-dimethyl-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of ChemDiv1_006137
Property Insights of ChemDiv1_006137
The XLogP value of 4.8861 indicates that ChemDiv1_006137 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, ChemDiv1_006137 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_006137 has 0 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 ChemDiv1_006137?
The CAS number of ChemDiv1_006137 is 306293-99-2.
What is the molecular formula of ChemDiv1_006137?
The molecular formula of ChemDiv1_006137 is C18H21BrN2O2S2.
What is the molecular weight of ChemDiv1_006137?
The molecular weight of ChemDiv1_006137 is 440.02 g/mol.
Where can I buy ChemDiv1_006137?
You can request a quote for ChemDiv1_006137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006137?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.