(3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester
TL;DR: (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester (CAS 185994-06-3) is a chemical compound with molecular formula C35H44Cl2N4O4 and molecular weight 654.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]propylamino]propyl N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamate
Also Known As: (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester, 3-[3-[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]propylamino]propyl N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamate, 2-Pyridinemethanamine,N-((4-(1,4,8,11-tetraazacyclotetradec-1-ylmethyl)phenyl)methyl)-, 3-({3-[5-Hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl]propyl}amino)propyl (3-{4-[bis(2-chloroethyl)amino]phenyl}propyl)carbamate, 3-({3-[5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl]propyl}amino)propyl N-(3-{4-[bis(2-chloroethyl)amino]phenyl}propyl)carbamate
| Molecular Formula | C35H44Cl2N4O4 |
|---|---|
| Molecular Weight | 654.27 g/mol |
| LogP | 7.04072 |
| Topological Polar Surface Area | 98.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 654.274 |
| Heavy Atoms | 45 |
| Complexity | 1486.5616 |
Chemical Identifiers
| CAS Number | 185994-06-3 |
|---|---|
| SMILES | CC1=C(N(C2=C1C=C(C=C2)O)CCCNCCCOC(=O)NCCCC3=CC=C(C=C3)N(CCCl)CCCl)C4=CC=C(C=C4)O |
Product Overview
(3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester (CAS 185994-06-3), with molecular formula C35H44Cl2N4O4 and molecular weight 654.27 g/mol. IUPAC: 3-[3-[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]propylamino]propyl N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamate.
Chemical Property Profile of (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester
Property Insights of (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester
The XLogP value of 7.04072 indicates that (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.99 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester. Following Lipinski's Rule of Five, (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester?
The CAS number of (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester is 185994-06-3.
What is the molecular formula of (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester?
The molecular formula of (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester is C35H44Cl2N4O4.
What is the molecular weight of (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester?
The molecular weight of (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester is 654.27 g/mol.
Where can I buy (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester?
You can request a quote for (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((3-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)propyl)amino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.