838 D
TL;DR: 838 D (CAS 36148-80-8) is a chemical compound with molecular formula C21H31NO12S4 and molecular weight 617.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[methyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate;4-(4-sulfophenyl)benzenesulfonic acid
Also Known As: 838 D, 838-D, 838D, N-Methyl-N,N-bis(3-methylsulfonyloxypropyl)amine 4,4'-biphenyldisulfonate, N-Methyl-bis(3-mesyloxypropyl)aminobiphenyl-4,4'-sulfonate
| Molecular Formula | C21H31NO12S4 |
|---|---|
| Molecular Weight | 617.07 g/mol |
| LogP | 1.4978 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 617.07294 |
| Heavy Atoms | 38 |
| Complexity | 827.0 |
Chemical Identifiers
| CAS Number | 36148-80-8 |
|---|---|
| SMILES | CN(CCCOS(=O)(=O)C)CCCOS(=O)(=O)C.C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | VJWSKIHLIBKOBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
838 D (CAS 36148-80-8), with molecular formula C21H31NO12S4 and molecular weight 617.07 g/mol. IUPAC: 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate;4-(4-sulfophenyl)benzenesulfonic acid.
Chemical Property Profile of 838 D
Property Insights of 838 D
The XLogP value of 1.4978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 838 D. The TPSA of 232.0 Ų indicates high polarity, suggesting 838 D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 838 D has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 838 D?
The CAS number of 838 D is 36148-80-8.
What is the molecular formula of 838 D?
The molecular formula of 838 D is C21H31NO12S4.
What is the molecular weight of 838 D?
The molecular weight of 838 D is 617.07 g/mol.
Where can I buy 838 D?
You can request a quote for 838 D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 838 D?
Yes, KEHONG BIO provides custom synthesis services for 838 D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.