ChemDiv1_006003
TL;DR: ChemDiv1_006003 (CAS 351006-72-9) is a chemical compound with molecular formula C21H22N2O4S2 and molecular weight 430.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate
Also Known As: ChemDiv1_006003, methyl {[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate, methyl 2-((6,6-dimethyl-4-oxo-3-(p-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C21H22N2O4S2 |
|---|---|
| Molecular Weight | 430.10 g/mol |
| LogP | 3.87202 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.1021 |
| Heavy Atoms | 29 |
| Complexity | 1146.1829 |
Chemical Identifiers
| CAS Number | 351006-72-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)OC)SC4=C3CC(OC4)(C)C |
Product Overview
ChemDiv1_006003 (CAS 351006-72-9), with molecular formula C21H22N2O4S2 and molecular weight 430.10 g/mol. IUPAC: methyl 2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv1_006003
Property Insights of ChemDiv1_006003
The XLogP value of 3.87202 indicates that ChemDiv1_006003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006003. Following Lipinski's Rule of Five, ChemDiv1_006003 has 0 hydrogen bond donor(s) and 7 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_006003?
The CAS number of ChemDiv1_006003 is 351006-72-9.
What is the molecular formula of ChemDiv1_006003?
The molecular formula of ChemDiv1_006003 is C21H22N2O4S2.
What is the molecular weight of ChemDiv1_006003?
The molecular weight of ChemDiv1_006003 is 430.10 g/mol.
Where can I buy ChemDiv1_006003?
You can request a quote for ChemDiv1_006003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006003?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.