Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate
TL;DR: Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate (CAS 6632-65-1) is a chemical compound with molecular formula C12H26Cl2N2O4S2 and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-[2-(3-imino-3-methoxypropoxy)ethyldisulfanyl]ethoxy]propanimidate;dihydrochloride
Also Known As: Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate, methyl 3-[2-[2-(3-imino-3-methoxypropoxy)ethyldisulfanyl]ethoxy]propanimidate;dihydrochloride, methyl(3z,16z)-3-imino-2,6,13-trioxa-9,10-dithiahexadecan-16-imidoate dihydrochloride, Propanimidic acid, 3,3'-(dithiobis(2,1-ethanediyloxy))bis-, dimethyl ester, dihydrochloride, Methyl 3-imino-2,6,13-trioxa-9,10-dithiahexadecan-16-imidate--hydrogen chloride (1/2)
| Molecular Formula | C12H26Cl2N2O4S2 |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 3.27214 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 396.0711 |
| Heavy Atoms | 22 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 6632-65-1 |
|---|---|
| SMILES | COC(=N)CCOCCSSCCOCCC(=N)OC.Cl.Cl |
| InChIKey | OKFPQLSNINFALF-UHFFFAOYSA-N |
Product Overview
Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate (CAS 6632-65-1), with molecular formula C12H26Cl2N2O4S2 and molecular weight 396.07 g/mol. IUPAC: methyl 3-[2-[2-(3-imino-3-methoxypropoxy)ethyldisulfanyl]ethoxy]propanimidate;dihydrochloride.
Chemical Property Profile of Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate
Property Insights of Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate
The XLogP value of 3.27214 indicates that Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate. Following Lipinski's Rule of Five, Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate?
The CAS number of Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate is 6632-65-1.
What is the molecular formula of Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate?
The molecular formula of Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate is C12H26Cl2N2O4S2.
What is the molecular weight of Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate?
The molecular weight of Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate is 396.07 g/mol.
Where can I buy Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate?
You can request a quote for Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl-3,3'-(dithiahexamethylenedioxy)dipropionimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.