A3599/0152467
TL;DR: A3599/0152467 (CAS 488858-53-3) is a chemical compound with molecular formula C20H18N4O2S2 and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(7-phenyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetate
Also Known As: A3599/0152467, methyl [(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate, methyl 2-((5-phenyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetate, methyl 2-[(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate
| Molecular Formula | C20H18N4O2S2 |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 4.1499 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.08713 |
| Heavy Atoms | 28 |
| Complexity | 1183.5778 |
Chemical Identifiers
| CAS Number | 488858-53-3 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C2N1C(=NC3=C2C4=C(S3)CCCC4)C5=CC=CC=C5 |
Product Overview
A3599/0152467 (CAS 488858-53-3), with molecular formula C20H18N4O2S2 and molecular weight 410.09 g/mol. IUPAC: methyl 2-[(7-phenyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetate.
Chemical Property Profile of A3599/0152467
Property Insights of A3599/0152467
The XLogP value of 4.1499 indicates that A3599/0152467 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for A3599/0152467. Following Lipinski's Rule of Five, A3599/0152467 has 0 hydrogen bond donor(s) and 7 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 A3599/0152467?
The CAS number of A3599/0152467 is 488858-53-3.
What is the molecular formula of A3599/0152467?
The molecular formula of A3599/0152467 is C20H18N4O2S2.
What is the molecular weight of A3599/0152467?
The molecular weight of A3599/0152467 is 410.09 g/mol.
Where can I buy A3599/0152467?
You can request a quote for A3599/0152467 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3599/0152467?
Yes, KEHONG BIO provides custom synthesis services for A3599/0152467 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.