DivK1c_004839
TL;DR: DivK1c_004839 (CAS 328068-68-4) is a chemical compound with molecular formula C20H19ClN2O4S and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(4-chlorophenyl)-2-oxoethyl]-4,12,12-trimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione
Also Known As: DivK1c_004839, CDS1_003799, BIM-0017479.P001, AJ-292/36790009, 1-[2-(4-chlorophenyl)-2-oxoethyl]-3,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
| Molecular Formula | C20H19ClN2O4S |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 3.1493 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.0754 |
| Heavy Atoms | 28 |
| Complexity | 1218.2072 |
Chemical Identifiers
| CAS Number | 328068-68-4 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CC(=O)C4=CC=C(C=C4)Cl)C)C |
Product Overview
DivK1c_004839 (CAS 328068-68-4), with molecular formula C20H19ClN2O4S and molecular weight 418.08 g/mol. IUPAC: 6-[2-(4-chlorophenyl)-2-oxoethyl]-4,12,12-trimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione.
Chemical Property Profile of DivK1c_004839
Property Insights of DivK1c_004839
The XLogP value of 3.1493 indicates that DivK1c_004839 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_004839. Following Lipinski's Rule of Five, DivK1c_004839 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 DivK1c_004839?
The CAS number of DivK1c_004839 is 328068-68-4.
What is the molecular formula of DivK1c_004839?
The molecular formula of DivK1c_004839 is C20H19ClN2O4S.
What is the molecular weight of DivK1c_004839?
The molecular weight of DivK1c_004839 is 418.08 g/mol.
Where can I buy DivK1c_004839?
You can request a quote for DivK1c_004839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_004839?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_004839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.