A3088/0130666
TL;DR: A3088/0130666 (CAS 1005106-68-2) is a chemical compound with molecular formula C19H12N2O5S2 and molecular weight 412.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-11-phenyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene-9,15-dione
Also Known As: A3088/0130666, 10-nitro-5-phenyl-3,5,5a,11b-tetrahydro-2H,6H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione, 10-nitro-5-phenyl-5,5a-dihydrochromeno[4',3':4,5]thiopyrano[2,3-d]thiazole-2,6(3H,11bH)-dione
| Molecular Formula | C19H12N2O5S2 |
|---|---|
| Molecular Weight | 412.02 g/mol |
| LogP | 3.8587 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.01877 |
| Heavy Atoms | 28 |
| Complexity | 1170.5671 |
Chemical Identifiers
| CAS Number | 1005106-68-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C3C(C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O)C5=C(S2)NC(=O)S5 |
Product Overview
A3088/0130666 (CAS 1005106-68-2), with molecular formula C19H12N2O5S2 and molecular weight 412.02 g/mol. IUPAC: 4-nitro-11-phenyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene-9,15-dione.
Chemical Property Profile of A3088/0130666
Property Insights of A3088/0130666
The XLogP value of 3.8587 indicates that A3088/0130666 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.3 Ų falls within the moderate polarity range, balancing permeability and solubility for A3088/0130666. Following Lipinski's Rule of Five, A3088/0130666 has 1 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 A3088/0130666?
The CAS number of A3088/0130666 is 1005106-68-2.
What is the molecular formula of A3088/0130666?
The molecular formula of A3088/0130666 is C19H12N2O5S2.
What is the molecular weight of A3088/0130666?
The molecular weight of A3088/0130666 is 412.02 g/mol.
Where can I buy A3088/0130666?
You can request a quote for A3088/0130666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3088/0130666?
Yes, KEHONG BIO provides custom synthesis services for A3088/0130666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.