![[1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea structure](/static/products/6546/6546-99-2.webp)
[1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea
TL;DR: [1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea (CAS 6546-99-2) is a chemical compound with molecular formula C14H17Cl2N5OS and molecular weight 373.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea
Also Known As: [(Z)-[1-[bis(2-chloroethyl)aminomethyl]-2-oxoindol-3-ylidene|[[1-[bis(2-chloroethyl)aminomethyl]-2-oxoindol-3-ylidene]amino]thiourea|[1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea|(2Z)-2-(1-{[Bis(2-chloroethyl)amino]methyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazine-1-carbothioamide
| Molecular Formula | C14H17Cl2N5OS |
|---|---|
| Molecular Weight | 373.05 g/mol |
| LogP | 3.4113 |
| Topological Polar Surface Area | 79.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.0531 |
| Heavy Atoms | 23 |
| Complexity | 712.5007 |
Chemical Identifiers
| CAS Number | 6546-99-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2CN(CCCl)CCCl)O)N=NC(=S)N |
Product Overview
[1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea (CAS 6546-99-2), with molecular formula C14H17Cl2N5OS and molecular weight 373.05 g/mol. IUPAC: [1-[bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea.
Chemical Property Profile of [1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea
Property Insights of [1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea
The XLogP value of 3.4113 indicates that [1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.14 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea. Following Lipinski's Rule of Five, [1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea 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 [1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea?
The CAS number of [1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea is 6546-99-2.
What is the molecular formula of [1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea?
The molecular formula of [1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea is C14H17Cl2N5OS.
What is the molecular weight of [1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea?
The molecular weight of [1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea is 373.05 g/mol.
Where can I buy [1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea?
You can request a quote for [1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea?
Yes, KEHONG BIO provides custom synthesis services for [1-[Bis(2-chloroethyl)aminomethyl]-2-hydroxyindol-3-yl]iminothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.