ChemDiv3_006653
TL;DR: ChemDiv3_006653 (CAS 724780-36-3) is a chemical compound with molecular formula C20H17N3O3 and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-4-oxobut-2-enoic acid
Also Known As: ChemDiv3_006653, IDI1_024563, (2E)-4-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-4-oxobut-2-enoic acid, (2E)-3-[(4-METHYL-3-PHENYL-3H-1,5-BENZODIAZEPIN-2-YL)CARBAMOYL]PROP-2-ENOIC ACID, (E)-3-(4-Methyl-3-phenyl-3H-benzo[b][1,4]diazepin-2-ylcarbamoyl)-acrylic acid
| Molecular Formula | C20H17N3O3 |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 3.3634 |
| Topological Polar Surface Area | 91.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.12698 |
| Heavy Atoms | 26 |
| Complexity | 930.3274 |
Chemical Identifiers
| CAS Number | 724780-36-3 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)/C=C/C(=O)O |
Product Overview
ChemDiv3_006653 (CAS 724780-36-3), with molecular formula C20H17N3O3 and molecular weight 347.13 g/mol. IUPAC: (E)-4-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of ChemDiv3_006653
Property Insights of ChemDiv3_006653
The XLogP value of 3.3634 indicates that ChemDiv3_006653 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006653. Following Lipinski's Rule of Five, ChemDiv3_006653 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 ChemDiv3_006653?
The CAS number of ChemDiv3_006653 is 724780-36-3.
What is the molecular formula of ChemDiv3_006653?
The molecular formula of ChemDiv3_006653 is C20H17N3O3.
What is the molecular weight of ChemDiv3_006653?
The molecular weight of ChemDiv3_006653 is 347.13 g/mol.
Where can I buy ChemDiv3_006653?
You can request a quote for ChemDiv3_006653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006653?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.