ChemDiv1_008161
TL;DR: ChemDiv1_008161 (CAS 370840-64-5) is a chemical compound with molecular formula C23H27N3O5S and molecular weight 457.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)furan-2-carboxylate
Also Known As: ChemDiv1_008161, DivK1c_002801, CDS1_001761, VU0060871-1, AE-848/13196079
| Molecular Formula | C23H27N3O5S |
|---|---|
| Molecular Weight | 457.17 g/mol |
| LogP | 4.0031 |
| Topological Polar Surface Area | 100.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.16714 |
| Heavy Atoms | 32 |
| Complexity | 1176.2141 |
Chemical Identifiers
| CAS Number | 370840-64-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(O1)C2=C(C3=C(S2)N=C(C4=C3CC(OC4)(C)C)N5CCOCC5)N |
Product Overview
ChemDiv1_008161 (CAS 370840-64-5), with molecular formula C23H27N3O5S and molecular weight 457.17 g/mol. IUPAC: ethyl 5-(3-amino-12,12-dimethyl-8-morpholin-4-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)furan-2-carboxylate.
Chemical Property Profile of ChemDiv1_008161
Property Insights of ChemDiv1_008161
The XLogP value of 4.0031 indicates that ChemDiv1_008161 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008161. Following Lipinski's Rule of Five, ChemDiv1_008161 has 1 hydrogen bond donor(s) and 9 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_008161?
The CAS number of ChemDiv1_008161 is 370840-64-5.
What is the molecular formula of ChemDiv1_008161?
The molecular formula of ChemDiv1_008161 is C23H27N3O5S.
What is the molecular weight of ChemDiv1_008161?
The molecular weight of ChemDiv1_008161 is 457.17 g/mol.
Where can I buy ChemDiv1_008161?
You can request a quote for ChemDiv1_008161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008161?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.