TimTec1_006314
TL;DR: TimTec1_006314 (CAS 329928-30-5) is a chemical compound with molecular formula C17H14N4O3 and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(furan-2-yl)-12-imino-10,11-dioxatricyclo[5.3.2.01,6]dodecane-7,8,8-tricarbonitrile
Also Known As: TimTec1_006314, A3130/0132365, 2-(furan-2-yl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile, 9-(2-furyl)-12-imino-10,11-dioxatricyclo[5.3.2.0<1,6>]dodecane-7,8,8-tricarbon itrile, 2-(2-FURYL)-10-IMINOTETRAHYDRO-8A,4-(EPOXYMETHANO)CHROMENE-3,3,4(2H,4AH)-TRICARBONITRILE
| Molecular Formula | C17H14N4O3 |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 2.78841 |
| Topological Polar Surface Area | 126.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.1066 |
| Heavy Atoms | 24 |
| Complexity | 813.4976 |
Chemical Identifiers
| CAS Number | 329928-30-5 |
|---|---|
| SMILES | C1CCC23C(C1)C(C(=N)O2)(C(C(O3)C4=CC=CO4)(C#N)C#N)C#N |
Product Overview
TimTec1_006314 (CAS 329928-30-5), with molecular formula C17H14N4O3 and molecular weight 322.11 g/mol. IUPAC: 9-(furan-2-yl)-12-imino-10,11-dioxatricyclo[5.3.2.01,6]dodecane-7,8,8-tricarbonitrile.
Chemical Property Profile of TimTec1_006314
Property Insights of TimTec1_006314
The XLogP value of 2.78841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_006314. The TPSA of 126.82 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_006314. Following Lipinski's Rule of Five, TimTec1_006314 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 TimTec1_006314?
The CAS number of TimTec1_006314 is 329928-30-5.
What is the molecular formula of TimTec1_006314?
The molecular formula of TimTec1_006314 is C17H14N4O3.
What is the molecular weight of TimTec1_006314?
The molecular weight of TimTec1_006314 is 322.11 g/mol.
Where can I buy TimTec1_006314?
You can request a quote for TimTec1_006314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006314?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.