ChemDiv3_004878
TL;DR: ChemDiv3_004878 (CAS 371127-30-9) 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-propan-2-yl-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: ChemDiv3_004878, IDI1_022788, AL-281/41043079, 3-benzyl-6-isopropyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 8-chloro-3-methylimidazo[1,2-a]pyridine-2-carboxyl
| Molecular Formula | C19H20N2O2S2 |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 4.26619 |
| 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 | 1031.2441 |
Chemical Identifiers
| CAS Number | 371127-30-9 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=S)N3)CC4=CC=CC=C4 |
Product Overview
ChemDiv3_004878 (CAS 371127-30-9), with molecular formula C19H20N2O2S2 and molecular weight 372.10 g/mol. IUPAC: 4-benzyl-12-propan-2-yl-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 ChemDiv3_004878
Property Insights of ChemDiv3_004878
The XLogP value of 4.26619 indicates that ChemDiv3_004878 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, ChemDiv3_004878 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004878 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 ChemDiv3_004878?
The CAS number of ChemDiv3_004878 is 371127-30-9.
What is the molecular formula of ChemDiv3_004878?
The molecular formula of ChemDiv3_004878 is C19H20N2O2S2.
What is the molecular weight of ChemDiv3_004878?
The molecular weight of ChemDiv3_004878 is 372.10 g/mol.
Where can I buy ChemDiv3_004878?
You can request a quote for ChemDiv3_004878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004878?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.