(3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester
TL;DR: (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester (CAS 470471-13-7) is a chemical compound with molecular formula C13H16BrN3O2 and molecular weight 325.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)acetate;hydrobromide
Also Known As: methyl 2-(3-allyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetate hydrobromide, (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester, methyl 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)acetate hydrobromide
| Molecular Formula | C13H16BrN3O2 |
|---|---|
| Molecular Weight | 325.04 g/mol |
| LogP | 1.85917 |
| Topological Polar Surface Area | 60.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.0426 |
| Heavy Atoms | 19 |
| Complexity | 657.4423 |
Chemical Identifiers
| CAS Number | 470471-13-7 |
|---|---|
| SMILES | COC(=O)CN1C2=CC=CC=C2N(C1=N)CC=C.Br |
Product Overview
(3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester (CAS 470471-13-7), with molecular formula C13H16BrN3O2 and molecular weight 325.04 g/mol. IUPAC: methyl 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)acetate;hydrobromide.
Chemical Property Profile of (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester
Property Insights of (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester
The XLogP value of 1.85917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester. The TPSA of 60.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester. Following Lipinski's Rule of Five, (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester has 1 hydrogen bond donor(s) and 3 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 (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester?
The CAS number of (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester is 470471-13-7.
What is the molecular formula of (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester?
The molecular formula of (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester is C13H16BrN3O2.
What is the molecular weight of (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester?
The molecular weight of (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester is 325.04 g/mol.
Where can I buy (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester?
You can request a quote for (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.