A4007/0170827
TL;DR: A4007/0170827 (CAS 898096-92-9) is a chemical compound with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,8-dimethyl-5-thiophen-2-yl-5,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-6-one
Also Known As: A4007/0170827, 6,6-DIMETHYL-9-(2-THIENYL)-6,7,9,10-TETRAHYDRO-4H-[1,2,5]OXADIAZOLO[3,4-B][1,4]BENZODIAZEPIN-8(5H)-ONE, 6,6-dimethyl-9-(thiophen-2-yl)-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one, 6,6-dimethyl-9-(thiophen-2-yl)-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one, 6,6-dimethyl-9-(thiophen-2-yl)-6,7,9,10-tetrahydro-5H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8-ol
| Molecular Formula | C15H16N4O2S |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 3.353 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.0994 |
| Heavy Atoms | 22 |
| Complexity | 760.36426 |
Chemical Identifiers
| CAS Number | 898096-92-9 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=NON=C3N2)C4=CC=CS4)C(=O)C1)C |
Product Overview
A4007/0170827 (CAS 898096-92-9), with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol. IUPAC: 8,8-dimethyl-5-thiophen-2-yl-5,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-6-one.
Chemical Property Profile of A4007/0170827
Property Insights of A4007/0170827
The XLogP value of 3.353 indicates that A4007/0170827 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for A4007/0170827. Following Lipinski's Rule of Five, A4007/0170827 has 2 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 A4007/0170827?
The CAS number of A4007/0170827 is 898096-92-9.
What is the molecular formula of A4007/0170827?
The molecular formula of A4007/0170827 is C15H16N4O2S.
What is the molecular weight of A4007/0170827?
The molecular weight of A4007/0170827 is 316.10 g/mol.
Where can I buy A4007/0170827?
You can request a quote for A4007/0170827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4007/0170827?
Yes, KEHONG BIO provides custom synthesis services for A4007/0170827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.