5,5'-Sebacoyldi(oxytryptamine) diacetate
TL;DR: 5,5'-Sebacoyldi(oxytryptamine) diacetate (CAS 52671-00-8) is a chemical compound with molecular formula C34H46N4O8 and molecular weight 638.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;bis[3-(2-aminoethyl)-1H-indol-5-yl] decanedioate
Also Known As: 5,5'-Sebacoyldi(oxytryptamine) diacetate, Sebacic acid, bis(3-(2-aminoethyl)-5-indolyl)ester, diacetate, Sebacic acid, compd. with 3-(2-aminoethyl)indol-5-ol, acetate (1:2:2), acetic acid; bis[3-(2-aminoethyl)-1H-indol-5-yl] decanedioate, Acetic acid--bis[3-(2-aminoethyl)-1H-indol-5-yl] decanedioate (2/1)
| Molecular Formula | C34H46N4O8 |
|---|---|
| Molecular Weight | 638.33 g/mol |
| LogP | 5.4652 |
| Topological Polar Surface Area | 210.82 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 638.33154 |
| Heavy Atoms | 46 |
| Complexity | 1435.3143 |
Chemical Identifiers
| CAS Number | 52671-00-8 |
|---|---|
| SMILES | CC(=O)O.CC(=O)O.C1=CC2=C(C=C1OC(=O)CCCCCCCCC(=O)OC3=CC4=C(C=C3)NC=C4CCN)C(=CN2)CCN |
Product Overview
5,5'-Sebacoyldi(oxytryptamine) diacetate (CAS 52671-00-8), with molecular formula C34H46N4O8 and molecular weight 638.33 g/mol. IUPAC: acetic acid;bis[3-(2-aminoethyl)-1H-indol-5-yl] decanedioate.
Chemical Property Profile of 5,5'-Sebacoyldi(oxytryptamine) diacetate
Property Insights of 5,5'-Sebacoyldi(oxytryptamine) diacetate
The XLogP value of 5.4652 indicates that 5,5'-Sebacoyldi(oxytryptamine) diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 210.82 Ų indicates high polarity, suggesting 5,5'-Sebacoyldi(oxytryptamine) diacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,5'-Sebacoyldi(oxytryptamine) diacetate has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,5'-Sebacoyldi(oxytryptamine) diacetate?
The CAS number of 5,5'-Sebacoyldi(oxytryptamine) diacetate is 52671-00-8.
What is the molecular formula of 5,5'-Sebacoyldi(oxytryptamine) diacetate?
The molecular formula of 5,5'-Sebacoyldi(oxytryptamine) diacetate is C34H46N4O8.
What is the molecular weight of 5,5'-Sebacoyldi(oxytryptamine) diacetate?
The molecular weight of 5,5'-Sebacoyldi(oxytryptamine) diacetate is 638.33 g/mol.
Where can I buy 5,5'-Sebacoyldi(oxytryptamine) diacetate?
You can request a quote for 5,5'-Sebacoyldi(oxytryptamine) diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5'-Sebacoyldi(oxytryptamine) diacetate?
Yes, KEHONG BIO provides custom synthesis services for 5,5'-Sebacoyldi(oxytryptamine) diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.