RefChem:815795
TL;DR: RefChem:815795 (CAS 303107-70-2) is a chemical compound with molecular formula C23H30N4O3 and molecular weight 410.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-(4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbonylhydrazinylidene)methyl]benzoate
Also Known As: METHYL 4-{(E)-[(4,5,6,7,8,9,10,11,12,13-DECAHYDRO-1H-CYCLODODECA[C]PYRAZOL-3-YLCARBONYL)HYDRAZONO]METHYL}BENZOATE, 652-602-3, Methyl 4-((E)-((4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca(C)pyrazol-3-ylcarbonyl)hydrazono)methyl)benzoate, RefChem:815795
| Molecular Formula | C23H30N4O3 |
|---|---|
| Molecular Weight | 410.23 g/mol |
| LogP | 4.1796 |
| Topological Polar Surface Area | 96.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.23178 |
| Heavy Atoms | 30 |
| Complexity | 871.0734 |
Chemical Identifiers
| CAS Number | 303107-70-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C2=NNC3=C2CCCCCCCCCC3 |
Product Overview
RefChem:815795 (CAS 303107-70-2), with molecular formula C23H30N4O3 and molecular weight 410.23 g/mol. IUPAC: methyl 4-[(E)-(4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbonylhydrazinylidene)methyl]benzoate.
Chemical Property Profile of RefChem:815795
Property Insights of RefChem:815795
The XLogP value of 4.1796 indicates that RefChem:815795 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.44 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:815795. Following Lipinski's Rule of Five, RefChem:815795 has 2 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 RefChem:815795?
The CAS number of RefChem:815795 is 303107-70-2.
What is the molecular formula of RefChem:815795?
The molecular formula of RefChem:815795 is C23H30N4O3.
What is the molecular weight of RefChem:815795?
The molecular weight of RefChem:815795 is 410.23 g/mol.
Where can I buy RefChem:815795?
You can request a quote for RefChem:815795 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:815795?
Yes, KEHONG BIO provides custom synthesis services for RefChem:815795 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.