地特兰
TL;DR: 地特兰 (CAS 8015-54-1) is a chemical compound with molecular formula C40H60Cl2N2O6 and molecular weight 734.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地特兰
bis((1-ethylpyrrolidin-2-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate);dihydrochloride
Also Known As: Ditran, JB 329, KST-1A8528, CS 4298, CS 62025
| Molecular Formula | C40H60Cl2N2O6 |
|---|---|
| Molecular Weight | 734.38 g/mol |
| LogP | 7.03 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 734.3828 |
| Heavy Atoms | 50 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 8015-54-1 |
|---|---|
| SMILES | CCN1CCCC1COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.CCN1CCCC1COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.Cl.Cl |
| InChIKey | BHAQKBQTNVWCPO-UHFFFAOYSA-N |
Product Overview
地特兰 (CAS 8015-54-1), with molecular formula C40H60Cl2N2O6 and molecular weight 734.38 g/mol. IUPAC: bis((1-ethylpyrrolidin-2-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate);dihydrochloride.
Chemical Property Profile of 地特兰
Property Insights of 地特兰
The XLogP value of 7.03 indicates that 地特兰 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 地特兰. Following Lipinski's Rule of Five, 地特兰 has 4 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 地特兰?
The CAS number of 地特兰 is 8015-54-1.
What is the molecular formula of 地特兰?
The molecular formula of 地特兰 is C40H60Cl2N2O6.
What is the molecular weight of 地特兰?
The molecular weight of 地特兰 is 734.38 g/mol.
Where can I buy 地特兰?
You can request a quote for 地特兰 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地特兰?
Yes, KEHONG BIO provides custom synthesis services for 地特兰 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.