Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)
TL;DR: Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) (CAS 112250-61-0) is a chemical compound with molecular formula C44H54N4O8S2 and molecular weight 830.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-3-[[3-[methyl-[2-[methyl-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]amino]ethyl]amino]-3-oxopropyl]disulfanyl]-N-[2-[methyl-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]amino]ethyl]propanamide
Also Known As: Dbp-psoralen, Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen), 3,3'-Disulfanediylbis[N-methyl-N-(2-{methyl[(2,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-3-yl)methyl]amino}ethyl)propanamide], Propanamide, 3,3'-dithiobis(N-methyl-N-(2-(methyl((2,5,9-trimethyl-7-oxo-7H-furo(3,2-g)(1)benzopyran-3-yl)methyl)amino)ethyl)-, RefChem:135188
| Molecular Formula | C44H54N4O8S2 |
|---|---|
| Molecular Weight | 830.34 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 830.3383 |
| Heavy Atoms | 58 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 112250-61-0 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CN(C)CCN(C)C(=O)CCSSCCC(=O)N(C)CCN(C)CC4=C(OC5=C4C=C6C(=CC(=O)OC6=C5C)C)C)C |
| InChIKey | IOTZAFHOGRWAKS-UHFFFAOYSA-N |
Product Overview
Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) (CAS 112250-61-0), with molecular formula C44H54N4O8S2 and molecular weight 830.34 g/mol. IUPAC: N-methyl-3-[[3-[methyl-[2-[methyl-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]amino]ethyl]amino]-3-oxopropyl]disulfanyl]-N-[2-[methyl-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]amino]ethyl]propanamide.
Chemical Property Profile of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)
Property Insights of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)
The XLogP value of 5.0 indicates that Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.0 Ų indicates high polarity, suggesting Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)?
The CAS number of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) is 112250-61-0.
What is the molecular formula of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)?
The molecular formula of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) is C44H54N4O8S2.
What is the molecular weight of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)?
The molecular weight of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) is 830.34 g/mol.
Where can I buy Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)?
You can request a quote for Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)?
Yes, KEHONG BIO provides custom synthesis services for Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.