RefChem:381082
TL;DR: RefChem:381082 (CAS 64036-50-6) is a chemical compound with molecular formula C29H34ClNO10 and molecular weight 591.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2'-chlorospiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)methyl]azepane;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: KST-1B7040, 1-(2,2-dimethoxyethoxy)-4-methylbenzene, 1-[(2-chloro-6h-spiro[dibenzo[b,e]oxepine-11,2'-[1,3]dioxolan]-4'-yl)methyl]azepane 2-hydroxypropane-1,2,3-tricarboxylate(1:1), Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(hexahydro-1H-azepinyl)methyl-, citrate, 1-[(2'-chlorospiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)methyl]azepane; 2-hydroxypropane-1,2,3-tricarboxylic acid
| Molecular Formula | C29H34ClNO10 |
|---|---|
| Molecular Weight | 591.19 g/mol |
| LogP | 3.48 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 591.18713 |
| Heavy Atoms | 41 |
| Complexity | 753.0 |
Chemical Identifiers
| CAS Number | 64036-50-6 |
|---|---|
| SMILES | C1CCCN(CC1)CC2COC3(O2)C4=CC=CC=C4COC5=C3C=C(C=C5)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | BDCBHVZKPKPCIE-UHFFFAOYSA-N |
Product Overview
RefChem:381082 (CAS 64036-50-6), with molecular formula C29H34ClNO10 and molecular weight 591.19 g/mol. IUPAC: 1-[(2'-chlorospiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)methyl]azepane;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of RefChem:381082
Property Insights of RefChem:381082
The XLogP value of 3.48 indicates that RefChem:381082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting RefChem:381082 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:381082 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:381082?
The CAS number of RefChem:381082 is 64036-50-6.
What is the molecular formula of RefChem:381082?
The molecular formula of RefChem:381082 is C29H34ClNO10.
What is the molecular weight of RefChem:381082?
The molecular weight of RefChem:381082 is 591.19 g/mol.
Where can I buy RefChem:381082?
You can request a quote for RefChem:381082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:381082?
Yes, KEHONG BIO provides custom synthesis services for RefChem:381082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.