Benzoic acid, 3-chloro-2-methyl-, hydrazide
TL;DR: Benzoic acid, 3-chloro-2-methyl-, hydrazide (CAS 1022894-69-4) is a chemical compound with molecular formula C25H25NO7 and molecular weight 451.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid
Also Known As: Benzoic acid, 3-chloro-2-methyl-, hydrazide, ((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-7-hydroxy-2-methyl-4-oxo-4H-chromen-8-yl)methyl)-D-proline, 1-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid
| Molecular Formula | C25H25NO7 |
|---|---|
| Molecular Weight | 451.16 g/mol |
| LogP | 3.68432 |
| Topological Polar Surface Area | 109.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.16312 |
| Heavy Atoms | 33 |
| Complexity | 1296.1355 |
Chemical Identifiers
| CAS Number | 1022894-69-4 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCC3C(=O)O)C4=CC5=C(C=C4)OCCCO5 |
Product Overview
Benzoic acid, 3-chloro-2-methyl-, hydrazide (CAS 1022894-69-4), with molecular formula C25H25NO7 and molecular weight 451.16 g/mol. IUPAC: 1-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of Benzoic acid, 3-chloro-2-methyl-, hydrazide
Property Insights of Benzoic acid, 3-chloro-2-methyl-, hydrazide
The XLogP value of 3.68432 indicates that Benzoic acid, 3-chloro-2-methyl-, hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-chloro-2-methyl-, hydrazide. Following Lipinski's Rule of Five, Benzoic acid, 3-chloro-2-methyl-, hydrazide has 2 hydrogen bond donor(s) and 7 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 Benzoic acid, 3-chloro-2-methyl-, hydrazide?
The CAS number of Benzoic acid, 3-chloro-2-methyl-, hydrazide is 1022894-69-4.
What is the molecular formula of Benzoic acid, 3-chloro-2-methyl-, hydrazide?
The molecular formula of Benzoic acid, 3-chloro-2-methyl-, hydrazide is C25H25NO7.
What is the molecular weight of Benzoic acid, 3-chloro-2-methyl-, hydrazide?
The molecular weight of Benzoic acid, 3-chloro-2-methyl-, hydrazide is 451.16 g/mol.
Where can I buy Benzoic acid, 3-chloro-2-methyl-, hydrazide?
You can request a quote for Benzoic acid, 3-chloro-2-methyl-, hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-chloro-2-methyl-, hydrazide?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-chloro-2-methyl-, hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.