![Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv. structure](/static/products/136/136722-91-3.png)
Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv.
TL;DR: Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv. (CAS 136722-91-3) is a chemical compound with molecular formula C20H25ClN6O4 and molecular weight 448.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[6-chloro-10-(cyclopropylmethyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-yl]guanidine
Also Known As: TIBO deriv., Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv., (1E)-1-[chloro-(cyclopropylmethyl)-methyl-[?]ylidene]guanidine; fumaric acid, (2E)-But-2-enedioic acid--N''-[9-chloro-6-(cyclopropylmethyl)-5-methyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-yl]guanidine (1/1), Guanidine, [9-chloro-6-(cyclopropylmethyl)-4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2-yl]-, (2E)-2-butenedioate (1:1)
| Molecular Formula | C20H25ClN6O4 |
|---|---|
| Molecular Weight | 448.16 g/mol |
| LogP | 1.9205 |
| Topological Polar Surface Area | 160.06 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.16257 |
| Heavy Atoms | 31 |
| Complexity | 1039.6077 |
Chemical Identifiers
| CAS Number | 136722-91-3 |
|---|---|
| SMILES | CC1CN2C3=C(CN1CC4CC4)C=C(C=C3N=C2N=C(N)N)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv. (CAS 136722-91-3), with molecular formula C20H25ClN6O4 and molecular weight 448.16 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[6-chloro-10-(cyclopropylmethyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-yl]guanidine.
Chemical Property Profile of Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv.
Property Insights of Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv.
The XLogP value of 1.9205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv.. The TPSA of 160.06 Ų indicates high polarity, suggesting Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv. has 4 hydrogen bond donor(s) and 5 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 Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv.?
The CAS number of Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv. is 136722-91-3.
What is the molecular formula of Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv.?
The molecular formula of Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv. is C20H25ClN6O4.
What is the molecular weight of Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv.?
The molecular weight of Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv. is 448.16 g/mol.
Where can I buy Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv.?
You can request a quote for Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv.?
Yes, KEHONG BIO provides custom synthesis services for Imidazo[4,5,1-jk][1,4]benzodiazepine, guanidine deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.