ChemDiv1_006135
TL;DR: ChemDiv1_006135 (CAS 351006-89-8) is a chemical compound with molecular formula C20H26N2O4S2 and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-cyclohexyl-12,12-dimethyl-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_006135, methyl [(3-cyclohexyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate, methyl 2-((3-cyclohexyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C20H26N2O4S2 |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 4.0796 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.1334 |
| Heavy Atoms | 28 |
| Complexity | 957.2469 |
Chemical Identifiers
| CAS Number | 351006-89-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)OC)C4CCCCC4)C |
Product Overview
ChemDiv1_006135 (CAS 351006-89-8), with molecular formula C20H26N2O4S2 and molecular weight 422.13 g/mol. IUPAC: methyl 2-[(4-cyclohexyl-12,12-dimethyl-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_006135
Property Insights of ChemDiv1_006135
The XLogP value of 4.0796 indicates that ChemDiv1_006135 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_006135. Following Lipinski's Rule of Five, ChemDiv1_006135 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_006135?
The CAS number of ChemDiv1_006135 is 351006-89-8.
What is the molecular formula of ChemDiv1_006135?
The molecular formula of ChemDiv1_006135 is C20H26N2O4S2.
What is the molecular weight of ChemDiv1_006135?
The molecular weight of ChemDiv1_006135 is 422.13 g/mol.
Where can I buy ChemDiv1_006135?
You can request a quote for ChemDiv1_006135 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006135?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006135 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.