ChemDiv2_004859
TL;DR: ChemDiv2_004859 (CAS 378763-92-9) is a chemical compound with molecular formula C21H23N3O5S and molecular weight 429.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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-carboxylic acid
Also Known As: ChemDiv2_004859, IDI1_003574, 5-(1-Amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl)furan-2-carboxylic acid, 5-[1-amino-8,8-dimethyl-5-(4-morpholinyl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl]-2-furoic acid
| Molecular Formula | C21H23N3O5S |
|---|---|
| Molecular Weight | 429.14 g/mol |
| LogP | 3.5246 |
| Topological Polar Surface Area | 111.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.13583 |
| Heavy Atoms | 30 |
| Complexity | 1143.4144 |
Chemical Identifiers
| CAS Number | 378763-92-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C(=C(S3)C4=CC=C(O4)C(=O)O)N)N5CCOCC5)C |
Product Overview
ChemDiv2_004859 (CAS 378763-92-9), with molecular formula C21H23N3O5S and molecular weight 429.14 g/mol. IUPAC: 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-carboxylic acid.
Chemical Property Profile of ChemDiv2_004859
Property Insights of ChemDiv2_004859
The XLogP value of 3.5246 indicates that ChemDiv2_004859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004859. Following Lipinski's Rule of Five, ChemDiv2_004859 has 2 hydrogen bond donor(s) and 8 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 ChemDiv2_004859?
The CAS number of ChemDiv2_004859 is 378763-92-9.
What is the molecular formula of ChemDiv2_004859?
The molecular formula of ChemDiv2_004859 is C21H23N3O5S.
What is the molecular weight of ChemDiv2_004859?
The molecular weight of ChemDiv2_004859 is 429.14 g/mol.
Where can I buy ChemDiv2_004859?
You can request a quote for ChemDiv2_004859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004859?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.