A3616/0153315
TL;DR: A3616/0153315 (CAS 488797-12-2) is a chemical compound with molecular formula C19H23N3O2S and molecular weight 357.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,13-trimethyl-15-(2-methylpropoxy)-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaene
Also Known As: A3616/0153315, 1-Isobutoxy-3,8,8-trimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene, 2,8,8-trimethyl-4-(2-methylpropoxy)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 4-ISOBUTOXY-2,8,8-TRIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINE, 4-isobutoxy-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C19H23N3O2S |
|---|---|
| Molecular Weight | 357.15 g/mol |
| LogP | 4.43402 |
| Topological Polar Surface Area | 57.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.1511 |
| Heavy Atoms | 25 |
| Complexity | 962.353 |
Chemical Identifiers
| CAS Number | 488797-12-2 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)OCC(C)C)SC3=C2C=C4COC(CC4=N3)(C)C |
Product Overview
A3616/0153315 (CAS 488797-12-2), with molecular formula C19H23N3O2S and molecular weight 357.15 g/mol. IUPAC: 5,5,13-trimethyl-15-(2-methylpropoxy)-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaene.
Chemical Property Profile of A3616/0153315
Property Insights of A3616/0153315
The XLogP value of 4.43402 indicates that A3616/0153315 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.13 Ų, A3616/0153315 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3616/0153315 has 0 hydrogen bond donor(s) and 6 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 A3616/0153315?
The CAS number of A3616/0153315 is 488797-12-2.
What is the molecular formula of A3616/0153315?
The molecular formula of A3616/0153315 is C19H23N3O2S.
What is the molecular weight of A3616/0153315?
The molecular weight of A3616/0153315 is 357.15 g/mol.
Where can I buy A3616/0153315?
You can request a quote for A3616/0153315 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3616/0153315?
Yes, KEHONG BIO provides custom synthesis services for A3616/0153315 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.