RefChem:1086854
TL;DR: RefChem:1086854 (CAS 1090-53-5) is a chemical compound with molecular formula C15H18ClN3O2 and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbohydrazide;hydrochloride
Also Known As: 1-Benzyl-2-(3-(4,5,6,7-tetrahydrobenzisoxazolyl)carbonyl)hydrazine hydrochloride, Hydrazine, 1-benzyl-2-(3-(4,5,6,7-tetrahydrobenzisoxazolyl)carbonyl)-, hydrochloride, n'-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbohydrazide hydrochloride(1:1), N'-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbohydrazide hydrochloride, N'-Benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbohydrazide--hydrogen chloride (1/1)
| Molecular Formula | C15H18ClN3O2 |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 2.41 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.10876 |
| Heavy Atoms | 21 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 1090-53-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=NO2)C(=O)NNCC3=CC=CC=C3.Cl |
| InChIKey | BNWAOBSVICDNKQ-UHFFFAOYSA-N |
Product Overview
RefChem:1086854 (CAS 1090-53-5), with molecular formula C15H18ClN3O2 and molecular weight 307.11 g/mol. IUPAC: N'-benzyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbohydrazide;hydrochloride.
Chemical Property Profile of RefChem:1086854
Property Insights of RefChem:1086854
The XLogP value of 2.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1086854. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1086854. Following Lipinski's Rule of Five, RefChem:1086854 has 3 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 RefChem:1086854?
The CAS number of RefChem:1086854 is 1090-53-5.
What is the molecular formula of RefChem:1086854?
The molecular formula of RefChem:1086854 is C15H18ClN3O2.
What is the molecular weight of RefChem:1086854?
The molecular weight of RefChem:1086854 is 307.11 g/mol.
Where can I buy RefChem:1086854?
You can request a quote for RefChem:1086854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086854?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.