5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester
TL;DR: 5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester (CAS 138525-71-0) is a chemical compound with molecular formula C17H13N5O3 and molecular weight 335.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]carbamate
Also Known As: 5-Pbic, Maybridge4_003237, 5(6)-1(2H)-Phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester, methyl N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]carbamate, BRD-K25806464-001-01-3
| Molecular Formula | C17H13N5O3 |
|---|---|
| Molecular Weight | 335.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.10184 |
| Heavy Atoms | 25 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 138525-71-0 |
|---|---|
| SMILES | COC(=O)NC1=NC2=C(N1)C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43 |
| InChIKey | RUTAYAFBXACDGP-UHFFFAOYSA-N |
Product Overview
5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester (CAS 138525-71-0), with molecular formula C17H13N5O3 and molecular weight 335.10 g/mol. IUPAC: methyl N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]carbamate.
Chemical Property Profile of 5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester
Property Insights of 5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester. Following Lipinski's Rule of Five, 5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester has 3 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 5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester?
The CAS number of 5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester is 138525-71-0.
What is the molecular formula of 5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester?
The molecular formula of 5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester is C17H13N5O3.
What is the molecular weight of 5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester?
The molecular weight of 5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester is 335.10 g/mol.
Where can I buy 5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester?
You can request a quote for 5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.