(2-氯苄基)胍半硫酸盐
TL;DR: (2-氯苄基)胍半硫酸盐 (CAS 3458-33-1) is a chemical compound with molecular formula C16H22Cl2N6O4S and molecular weight 464.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-氯苄基)胍半硫酸盐
bis(2-[(2-chlorophenyl)methyl]guanidine);sulfuric acid
Also Known As: 1-(2-Chlorobenzyl)guanidine semesulfate, Guanidine, (2-chlorobenzyl)-, semisulfate, C8H10ClN3.1/2H2O4S, C8-H10-Cl-N3.1/2H2-O4-S, 2-[(2-chlorophenyl)methyl]guanidine;sulfuric acid
| Molecular Formula | C16H22Cl2N6O4S |
|---|---|
| Molecular Weight | 464.08 g/mol |
| LogP | 1.574 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.08002 |
| Heavy Atoms | 29 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 3458-33-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN=C(N)N)Cl.C1=CC=C(C(=C1)CN=C(N)N)Cl.OS(=O)(=O)O |
| InChIKey | NLIYYPZUVJVOJK-UHFFFAOYSA-N |
Product Overview
(2-氯苄基)胍半硫酸盐 (CAS 3458-33-1), with molecular formula C16H22Cl2N6O4S and molecular weight 464.08 g/mol. IUPAC: bis(2-[(2-chlorophenyl)methyl]guanidine);sulfuric acid.
Chemical Property Profile of (2-氯苄基)胍半硫酸盐
Property Insights of (2-氯苄基)胍半硫酸盐
The XLogP value of 1.574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-氯苄基)胍半硫酸盐. The TPSA of 212.0 Ų indicates high polarity, suggesting (2-氯苄基)胍半硫酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2-氯苄基)胍半硫酸盐 has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-氯苄基)胍半硫酸盐?
The CAS number of (2-氯苄基)胍半硫酸盐 is 3458-33-1.
What is the molecular formula of (2-氯苄基)胍半硫酸盐?
The molecular formula of (2-氯苄基)胍半硫酸盐 is C16H22Cl2N6O4S.
What is the molecular weight of (2-氯苄基)胍半硫酸盐?
The molecular weight of (2-氯苄基)胍半硫酸盐 is 464.08 g/mol.
Where can I buy (2-氯苄基)胍半硫酸盐?
You can request a quote for (2-氯苄基)胍半硫酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-氯苄基)胍半硫酸盐?
Yes, KEHONG BIO provides custom synthesis services for (2-氯苄基)胍半硫酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.