Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2)
TL;DR: Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2) (CAS 43064-15-9) is a chemical compound with molecular formula C22H30Cl2N6O6S and molecular weight 576.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine);sulfuric acid
Also Known As: C11H14ClN3O.1/2H2O4S, (8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)guanidine sulfate (2:1), C11-H14-Cl-N3-O.1/2H2-O4-S, 5-Guanidino-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hemisulfate, 2-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine sulfate(2:1)
| Molecular Formula | C22H30Cl2N6O6S |
|---|---|
| Molecular Weight | 576.13 g/mol |
| LogP | 3.0014 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 576.13245 |
| Heavy Atoms | 37 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 43064-15-9 |
|---|---|
| SMILES | C1CC(C2=C(C=C(C=C2)Cl)OC1)N=C(N)N.C1CC(C2=C(C=C(C=C2)Cl)OC1)N=C(N)N.OS(=O)(=O)O |
| InChIKey | QJUUZCVAODSJFW-UHFFFAOYSA-N |
Product Overview
Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2) (CAS 43064-15-9), with molecular formula C22H30Cl2N6O6S and molecular weight 576.13 g/mol. IUPAC: bis(2-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine);sulfuric acid.
Chemical Property Profile of Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2)
Property Insights of Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2)
The XLogP value of 3.0014 indicates that Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 230.0 Ų indicates high polarity, suggesting Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2) has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2)?
The CAS number of Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2) is 43064-15-9.
What is the molecular formula of Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2)?
The molecular formula of Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2) is C22H30Cl2N6O6S.
What is the molecular weight of Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2)?
The molecular weight of Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2) is 576.13 g/mol.
Where can I buy Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2)?
You can request a quote for Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2)?
Yes, KEHONG BIO provides custom synthesis services for Sulfuric acid--N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.