DivK1c_004979
TL;DR: DivK1c_004979 (CAS 327171-06-2) is a chemical compound with molecular formula C19H20N2O2S2 and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-12-ethyl-12-methyl-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: DivK1c_004979, CDS1_003939, AJ-292/12416063, 3-benzyl-6-ethyl-6-methyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3-benzyl-6-ethyl-6-methyl-2-thioxo-2,3,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
| Molecular Formula | C19H20N2O2S2 |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 4.41029 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.09662 |
| Heavy Atoms | 25 |
| Complexity | 1048.9567 |
Chemical Identifiers
| CAS Number | 327171-06-2 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C(=O)N(C(=S)N3)CC4=CC=CC=C4)C |
Product Overview
DivK1c_004979 (CAS 327171-06-2), with molecular formula C19H20N2O2S2 and molecular weight 372.10 g/mol. IUPAC: 4-benzyl-12-ethyl-12-methyl-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of DivK1c_004979
Property Insights of DivK1c_004979
The XLogP value of 4.41029 indicates that DivK1c_004979 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, DivK1c_004979 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DivK1c_004979 has 1 hydrogen bond donor(s) and 4 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_004979?
The CAS number of DivK1c_004979 is 327171-06-2.
What is the molecular formula of DivK1c_004979?
The molecular formula of DivK1c_004979 is C19H20N2O2S2.
What is the molecular weight of DivK1c_004979?
The molecular weight of DivK1c_004979 is 372.10 g/mol.
Where can I buy DivK1c_004979?
You can request a quote for DivK1c_004979 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_004979?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_004979 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.