ChemDiv1_005988
TL;DR: ChemDiv1_005988 (CAS 351008-25-8) is a chemical compound with molecular formula C19H24N2O4S2 and molecular weight 408.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]propanoate
Also Known As: ChemDiv1_005988, AB00103093-01, AE-848/15341070, Methyl 3-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]propanoate, methyl 3-[[6,6-dimethyl-3-(2-methylprop-2-enyl)-4-oxo-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-2-yl]sulfanyl]propanoate
| Molecular Formula | C19H24N2O4S2 |
|---|---|
| Molecular Weight | 408.12 g/mol |
| LogP | 3.5406 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.11774 |
| Heavy Atoms | 27 |
| Complexity | 958.75085 |
Chemical Identifiers
| CAS Number | 351008-25-8 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCCC(=O)OC)SC3=C2CC(OC3)(C)C |
Product Overview
ChemDiv1_005988 (CAS 351008-25-8), with molecular formula C19H24N2O4S2 and molecular weight 408.12 g/mol. IUPAC: methyl 3-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]propanoate.
Chemical Property Profile of ChemDiv1_005988
Property Insights of ChemDiv1_005988
The XLogP value of 3.5406 indicates that ChemDiv1_005988 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_005988. Following Lipinski's Rule of Five, ChemDiv1_005988 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_005988?
The CAS number of ChemDiv1_005988 is 351008-25-8.
What is the molecular formula of ChemDiv1_005988?
The molecular formula of ChemDiv1_005988 is C19H24N2O4S2.
What is the molecular weight of ChemDiv1_005988?
The molecular weight of ChemDiv1_005988 is 408.12 g/mol.
Where can I buy ChemDiv1_005988?
You can request a quote for ChemDiv1_005988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005988?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.