A3301/0140258
TL;DR: A3301/0140258 (CAS 1005099-27-3) is a chemical compound with molecular formula C21H15N5O2 and molecular weight 369.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-1-methyl-8-phenyl-3-pyridin-3-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Also Known As: A3301/0140258, 6-imino-1-methyl-8-phenyl-3-(pyridin-3-yl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile, 6-imino-1-methyl-8-phenyl-3-pyridin-3-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
| Molecular Formula | C21H15N5O2 |
|---|---|
| Molecular Weight | 369.12 g/mol |
| LogP | 3.20391 |
| Topological Polar Surface Area | 126.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.1226 |
| Heavy Atoms | 28 |
| Complexity | 1051.9602 |
Chemical Identifiers
| CAS Number | 1005099-27-3 |
|---|---|
| SMILES | CC12C(C(C(=N)O1)(C(C(O2)C3=CN=CC=C3)(C#N)C#N)C#N)C4=CC=CC=C4 |
Product Overview
A3301/0140258 (CAS 1005099-27-3), with molecular formula C21H15N5O2 and molecular weight 369.12 g/mol. IUPAC: 6-imino-1-methyl-8-phenyl-3-pyridin-3-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile.
Chemical Property Profile of A3301/0140258
Property Insights of A3301/0140258
The XLogP value of 3.20391 indicates that A3301/0140258 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.57 Ų falls within the moderate polarity range, balancing permeability and solubility for A3301/0140258. Following Lipinski's Rule of Five, A3301/0140258 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 A3301/0140258?
The CAS number of A3301/0140258 is 1005099-27-3.
What is the molecular formula of A3301/0140258?
The molecular formula of A3301/0140258 is C21H15N5O2.
What is the molecular weight of A3301/0140258?
The molecular weight of A3301/0140258 is 369.12 g/mol.
Where can I buy A3301/0140258?
You can request a quote for A3301/0140258 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3301/0140258?
Yes, KEHONG BIO provides custom synthesis services for A3301/0140258 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.