RefChem:346713
TL;DR: RefChem:346713 (CAS 99822-48-7) is a chemical compound with molecular formula C36H64N10O10S and molecular weight 828.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sulfuric acid;bis(2-[2-[4-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl]ethyl]guanidine)
Also Known As: C18H31N5O3.1/2H2O4S, 1-(3,4,5-Trimethoxybenzyl)-4-(2-guanidinoethyl)-perhydro-1,4-diazepine sulphate, C18-H31-N5-O3.1/2H2-O4-S, Guanidine, (2-(hexahydro-4-((3,4,5-trimethoxyphenyl)methyl)-1H-1,4-diazepin-1-yl)ethyl)-, sulfate (2:1), sulfuric acid; 2-[2-[4-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl]ethyl]guanidine
| Molecular Formula | C36H64N10O10S |
|---|---|
| Molecular Weight | 828.45 g/mol |
| LogP | 0.3342 |
| Topological Polar Surface Area | 271.74 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Exact Mass | 828.45276 |
| Heavy Atoms | 57 |
| Complexity | 1496.6658 |
Chemical Identifiers
| CAS Number | 99822-48-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CN2CCCN(CC2)CCN=C(N)N.COC1=CC(=CC(=C1OC)OC)CN2CCCN(CC2)CCN=C(N)N.OS(=O)(=O)O |
Product Overview
RefChem:346713 (CAS 99822-48-7), with molecular formula C36H64N10O10S and molecular weight 828.45 g/mol. IUPAC: sulfuric acid;bis(2-[2-[4-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl]ethyl]guanidine).
Chemical Property Profile of RefChem:346713
Property Insights of RefChem:346713
The XLogP value of 0.3342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:346713. The TPSA of 271.74 Ų indicates high polarity, suggesting RefChem:346713 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:346713 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:346713?
The CAS number of RefChem:346713 is 99822-48-7.
What is the molecular formula of RefChem:346713?
The molecular formula of RefChem:346713 is C36H64N10O10S.
What is the molecular weight of RefChem:346713?
The molecular weight of RefChem:346713 is 828.45 g/mol.
Where can I buy RefChem:346713?
You can request a quote for RefChem:346713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:346713?
Yes, KEHONG BIO provides custom synthesis services for RefChem:346713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.