A3616/0153321
TL;DR: A3616/0153321 (CAS 697230-71-0) is a chemical compound with molecular formula C21H18ClN3O2S and molecular weight 411.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-[(2-chlorophenyl)methyl]-5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one
Also Known As: A3616/0153321, 3-(2-chlorobenzyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one, 3-(2-chlorobenzyl)-8,8-dimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one
| Molecular Formula | C21H18ClN3O2S |
|---|---|
| Molecular Weight | 411.08 g/mol |
| LogP | 4.5592 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.0808 |
| Heavy Atoms | 28 |
| Complexity | 1292.2837 |
Chemical Identifiers
| CAS Number | 697230-71-0 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(S3)C(=O)N(C=N4)CC5=CC=CC=C5Cl)C |
Product Overview
A3616/0153321 (CAS 697230-71-0), with molecular formula C21H18ClN3O2S and molecular weight 411.08 g/mol. IUPAC: 14-[(2-chlorophenyl)methyl]-5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one.
Chemical Property Profile of A3616/0153321
Property Insights of A3616/0153321
The XLogP value of 4.5592 indicates that A3616/0153321 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, A3616/0153321 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3616/0153321 has 0 hydrogen bond donor(s) and 5 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 A3616/0153321?
The CAS number of A3616/0153321 is 697230-71-0.
What is the molecular formula of A3616/0153321?
The molecular formula of A3616/0153321 is C21H18ClN3O2S.
What is the molecular weight of A3616/0153321?
The molecular weight of A3616/0153321 is 411.08 g/mol.
Where can I buy A3616/0153321?
You can request a quote for A3616/0153321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3616/0153321?
Yes, KEHONG BIO provides custom synthesis services for A3616/0153321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.