(3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)amino)propyl ester
TL;DR: (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)amino)propyl ester (CAS 185994-07-4) is a chemical compound with molecular formula C37H48Cl2N4O4 and molecular weight 682.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]pentylamino]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-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)amino)propyl ester, 3-({5-[5-Hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl]pentyl}amino)propyl (3-{4-[bis(2-chloroethyl)amino]phenyl}propyl)carbamate, 3-({5-[5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl]pentyl}amino)propyl N-(3-{4-[bis(2-chloroethyl)amino]phenyl}propyl)carbamate, 3-[5-[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]pentylamino]propyl N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamate, N-[3-[4-[Bis(2-chloroethyl)amino]phenyl]propyl]carbamic acid 3-[[5-[2-(4-hydroxyphenyl)-3-methyl-5-hydroxy-1H-indol-1-yl]pentyl]amino]propyl ester
| Molecular Formula | C37H48Cl2N4O4 |
|---|---|
| Molecular Weight | 682.31 g/mol |
| LogP | 7.82092 |
| Topological Polar Surface Area | 98.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 682.30524 |
| Heavy Atoms | 47 |
| Complexity | 1520.3966 |
Chemical Identifiers
| CAS Number | 185994-07-4 |
|---|---|
| SMILES | CC1=C(N(C2=C1C=C(C=C2)O)CCCCCNCCCOC(=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-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)amino)propyl ester (CAS 185994-07-4), with molecular formula C37H48Cl2N4O4 and molecular weight 682.31 g/mol. IUPAC: 3-[5-[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]pentylamino]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-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)amino)propyl ester
Property Insights of (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)amino)propyl ester
The XLogP value of 7.82092 indicates that (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)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-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)amino)propyl ester. Following Lipinski's Rule of Five, (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)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-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)amino)propyl ester?
The CAS number of (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)amino)propyl ester is 185994-07-4.
What is the molecular formula of (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)amino)propyl ester?
The molecular formula of (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)amino)propyl ester is C37H48Cl2N4O4.
What is the molecular weight of (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)amino)propyl ester?
The molecular weight of (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)amino)propyl ester is 682.31 g/mol.
Where can I buy (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)amino)propyl ester?
You can request a quote for (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)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-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)amino)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for (3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 3-((5-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)pentyl)amino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.