TIBO analog
TL;DR: TIBO analog (CAS 136723-16-5) is a chemical compound with molecular formula C19H24N2O5 and molecular weight 360.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;11-methyl-10-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one
Also Known As: TIBO analog, fumaric acid; methyl(propyl)[?]one, (+-)-1,2,3,4-Tetrahydro-3-methyl-2-propylpyrrolo[3,2,1-jk][1,4]benzodiazepin-6(7H)-one & (E)-2-Butenedioate, (2E)-But-2-enedioic acid--3-methyl-2-propyl-1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indol-6(7H)-one (1/1), (E)-but-2-enedioic acid;11-methyl-10-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one
| Molecular Formula | C19H24N2O5 |
|---|---|
| Molecular Weight | 360.17 g/mol |
| LogP | 1.9016 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.16852 |
| Heavy Atoms | 26 |
| Complexity | 712.6397 |
Chemical Identifiers
| CAS Number | 136723-16-5 |
|---|---|
| SMILES | CCCN1CC2=CC=CC3=C2N(CC1C)C(=O)C3.C(=C/C(=O)O)\C(=O)O |
Product Overview
TIBO analog (CAS 136723-16-5), with molecular formula C19H24N2O5 and molecular weight 360.17 g/mol. IUPAC: (E)-but-2-enedioic acid;11-methyl-10-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one.
Chemical Property Profile of TIBO analog
Property Insights of TIBO analog
The XLogP value of 1.9016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TIBO analog. The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for TIBO analog. Following Lipinski's Rule of Five, TIBO analog has 2 hydrogen bond donor(s) and 4 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 TIBO analog?
The CAS number of TIBO analog is 136723-16-5.
What is the molecular formula of TIBO analog?
The molecular formula of TIBO analog is C19H24N2O5.
What is the molecular weight of TIBO analog?
The molecular weight of TIBO analog is 360.17 g/mol.
Where can I buy TIBO analog?
You can request a quote for TIBO analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TIBO analog?
Yes, KEHONG BIO provides custom synthesis services for TIBO analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.