ChemDiv1_003094
TL;DR: ChemDiv1_003094 (CAS 361472-19-7) is a chemical compound with molecular formula C22H25N3O5S and molecular weight 443.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 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_003094, AN-212/37206025, methyl 5-[1-amino-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl]furan-2-carboxylate, Methyl 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, methyl 5-(1-amino-8,8-dimethyl-5-morpholin-4-yl-8,9-dihydro-6H-pyrano[4,3-d]th iopheno[2,3-b]pyridin-2-yl)furan-2-carboxylate
| Molecular Formula | C22H25N3O5S |
|---|---|
| Molecular Weight | 443.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.1515 |
| Heavy Atoms | 31 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 361472-19-7 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C(=C(S3)C4=CC=C(O4)C(=O)OC)N)N5CCOCC5)C |
| InChIKey | MJPOGLKYICRFMO-UHFFFAOYSA-N |
Product Overview
ChemDiv1_003094 (CAS 361472-19-7), with molecular formula C22H25N3O5S and molecular weight 443.15 g/mol. IUPAC: methyl 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_003094
Property Insights of ChemDiv1_003094
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_003094. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003094. Following Lipinski's Rule of Five, ChemDiv1_003094 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_003094?
The CAS number of ChemDiv1_003094 is 361472-19-7.
What is the molecular formula of ChemDiv1_003094?
The molecular formula of ChemDiv1_003094 is C22H25N3O5S.
What is the molecular weight of ChemDiv1_003094?
The molecular weight of ChemDiv1_003094 is 443.15 g/mol.
Where can I buy ChemDiv1_003094?
You can request a quote for ChemDiv1_003094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003094?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.