C30H30ClN3O.ClH
TL;DR: C30H30ClN3O.ClH (CAS 110406-36-5) is a chemical compound with molecular formula C30H31Cl2N3O and molecular weight 519.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methyl]-2-[1-[(E)-3-phenylprop-2-enyl]azepan-4-yl]phthalazin-1-one;hydrochloride
Also Known As: 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(3-phenyl-2-propenyl)-1H-azepin-4-yl)-, monohydrochloride, 4-[(4-chlorophenyl)methyl]-2-(1-cinnamylazepan-4-yl)phthalazin-1-one Hydrochloride, 4-[(4-chlorophenyl)methyl]-2-[1-[(E)-3-phenylprop-2-enyl]azepan-4-yl]phthalazin-1-one hydrochloride, RefChem:1051402
| Molecular Formula | C30H31Cl2N3O |
|---|---|
| Molecular Weight | 519.18 g/mol |
| LogP | 6.8029 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.18445 |
| Heavy Atoms | 36 |
| Complexity | 1366.8557 |
Chemical Identifiers
| CAS Number | 110406-36-5 |
|---|---|
| SMILES | C1CC(CCN(C1)C/C=C/C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl.Cl |
Product Overview
C30H30ClN3O.ClH (CAS 110406-36-5), with molecular formula C30H31Cl2N3O and molecular weight 519.18 g/mol. IUPAC: 4-[(4-chlorophenyl)methyl]-2-[1-[(E)-3-phenylprop-2-enyl]azepan-4-yl]phthalazin-1-one;hydrochloride.
Chemical Property Profile of C30H30ClN3O.ClH
Property Insights of C30H30ClN3O.ClH
The XLogP value of 6.8029 indicates that C30H30ClN3O.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, C30H30ClN3O.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C30H30ClN3O.ClH has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C30H30ClN3O.ClH?
The CAS number of C30H30ClN3O.ClH is 110406-36-5.
What is the molecular formula of C30H30ClN3O.ClH?
The molecular formula of C30H30ClN3O.ClH is C30H31Cl2N3O.
What is the molecular weight of C30H30ClN3O.ClH?
The molecular weight of C30H30ClN3O.ClH is 519.18 g/mol.
Where can I buy C30H30ClN3O.ClH?
You can request a quote for C30H30ClN3O.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C30H30ClN3O.ClH?
Yes, KEHONG BIO provides custom synthesis services for C30H30ClN3O.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.