DivK1c_005077
TL;DR: DivK1c_005077 (CAS 301322-98-5) is a chemical compound with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-4-(4-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: DivK1c_005077, CDS1_004037, BAS 00603636, BIM-0017477.P001, AB00666927-01
| Molecular Formula | C21H22N2O3S |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 3.6215 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.1351 |
| Heavy Atoms | 27 |
| Complexity | 847.49023 |
Chemical Identifiers
| CAS Number | 301322-98-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OCC3=CC=CC=C3)C |
Product Overview
DivK1c_005077 (CAS 301322-98-5), with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol. IUPAC: ethyl 6-methyl-4-(4-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of DivK1c_005077
Property Insights of DivK1c_005077
The XLogP value of 3.6215 indicates that DivK1c_005077 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, DivK1c_005077 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DivK1c_005077 has 2 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_005077?
The CAS number of DivK1c_005077 is 301322-98-5.
What is the molecular formula of DivK1c_005077?
The molecular formula of DivK1c_005077 is C21H22N2O3S.
What is the molecular weight of DivK1c_005077?
The molecular weight of DivK1c_005077 is 382.14 g/mol.
Where can I buy DivK1c_005077?
You can request a quote for DivK1c_005077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_005077?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_005077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.