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3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one
TL;DR: 3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one (CAS 67781-00-4) is a chemical compound with molecular formula C14H15Cl2NOS and molecular weight 315.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)aminomethylidene]thiochromen-4-one
Also Known As: 3-[bis(2-chloroethyl)aminomethylidene]thiochromen-4-one, (3Z)-3-[bis(2-chloroethyl)aminomethylidene]thiochromen-4-one
| Molecular Formula | C14H15Cl2NOS |
|---|---|
| Molecular Weight | 315.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.02515 |
| Heavy Atoms | 19 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 67781-00-4 |
|---|---|
| SMILES | C1C(=CN(CCCl)CCCl)C(=O)C2=CC=CC=C2S1 |
| InChIKey | JRYJHICYDONNBG-UHFFFAOYSA-N |
Product Overview
3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one (CAS 67781-00-4), with molecular formula C14H15Cl2NOS and molecular weight 315.03 g/mol. IUPAC: 3-[bis(2-chloroethyl)aminomethylidene]thiochromen-4-one.
Chemical Property Profile of 3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one
Property Insights of 3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one
The XLogP value of 3.3 indicates that 3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one has 0 hydrogen bond donor(s) and 3 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 3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one?
The CAS number of 3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one is 67781-00-4.
What is the molecular formula of 3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one?
The molecular formula of 3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one is C14H15Cl2NOS.
What is the molecular weight of 3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one?
The molecular weight of 3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one is 315.03 g/mol.
Where can I buy 3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one?
You can request a quote for 3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[Bis(2-chloroethyl)aminomethylidene]thiochromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.