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Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate
TL;DR: Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate (CAS 18450-46-9) is a chemical compound with molecular formula C20H25Cl2N3O3 and molecular weight 425.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-(1H-indol-3-yl)propanoate
Also Known As: Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate, ethyl 2-[[(E)-3-[bis(2-chloroethyl)amino]prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoate, ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-(1H-indol-3-yl)propanoate
| Molecular Formula | C20H25Cl2N3O3 |
|---|---|
| Molecular Weight | 425.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 425.1273 |
| Heavy Atoms | 28 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 18450-46-9 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C=CN(CCCl)CCCl |
| InChIKey | SOYOFJMSFMWYNK-UHFFFAOYSA-N |
Product Overview
Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate (CAS 18450-46-9), with molecular formula C20H25Cl2N3O3 and molecular weight 425.13 g/mol. IUPAC: ethyl 2-[3-[bis(2-chloroethyl)amino]prop-2-enoylamino]-3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate
Property Insights of Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate
The XLogP value of 3.3 indicates that Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate. Following Lipinski's Rule of Five, Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate?
The CAS number of Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate is 18450-46-9.
What is the molecular formula of Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate?
The molecular formula of Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate is C20H25Cl2N3O3.
What is the molecular weight of Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate?
The molecular weight of Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate is 425.13 g/mol.
Where can I buy Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate?
You can request a quote for Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-{3-[bis(2-chloroethyl)amino]prop-2-enoyl}tryptophanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.