ChemDiv1_028718
TL;DR: ChemDiv1_028718 (CAS 371947-22-7) is a chemical compound with molecular formula C22H29N5O2S and molecular weight 427.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
Also Known As: ChemDiv1_028718, BAS 05421765, AN-212/13751220, (2,2-dimethyl-5-morpholin-4-yl(1,2-dihydro-4H-pyrano[4'',3''-5',4']pyridino[3' ,2'-5,4]thiopheno[2,3-e]pyrimidin-8-yl))diethylamine, N,N-diethyl-2,2-dimethyl-5-(4-morpholinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
| Molecular Formula | C22H29N5O2S |
|---|---|
| Molecular Weight | 427.20 g/mol |
| LogP | 3.7736 |
| Topological Polar Surface Area | 63.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.2042 |
| Heavy Atoms | 30 |
| Complexity | 1086.2517 |
Chemical Identifiers
| CAS Number | 371947-22-7 |
|---|---|
| SMILES | CCN(CC)C1=NC=NC2=C1SC3=C2C4=C(COC(C4)(C)C)C(=N3)N5CCOCC5 |
Product Overview
ChemDiv1_028718 (CAS 371947-22-7), with molecular formula C22H29N5O2S and molecular weight 427.20 g/mol. IUPAC: N,N-diethyl-4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine.
Chemical Property Profile of ChemDiv1_028718
Property Insights of ChemDiv1_028718
The XLogP value of 3.7736 indicates that ChemDiv1_028718 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.61 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028718. Following Lipinski's Rule of Five, ChemDiv1_028718 has 0 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 ChemDiv1_028718?
The CAS number of ChemDiv1_028718 is 371947-22-7.
What is the molecular formula of ChemDiv1_028718?
The molecular formula of ChemDiv1_028718 is C22H29N5O2S.
What is the molecular weight of ChemDiv1_028718?
The molecular weight of ChemDiv1_028718 is 427.20 g/mol.
Where can I buy ChemDiv1_028718?
You can request a quote for ChemDiv1_028718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028718?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.