(2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate
TL;DR: (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate (CAS 10441-02-8) is a chemical compound with molecular formula C14H13Cl2NO4 and molecular weight 329.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate
Also Known As: (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate, 2-Oxo-2H-1-benzopyran-7-yl bis(2-chloroethyl)carbamate, BIS(2-CHLOROETHYL)CARBAMIC ACID, 2-OXO-2H-1-BENZOPYRAN-7-YL ESTER
| Molecular Formula | C14H13Cl2NO4 |
|---|---|
| Molecular Weight | 329.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.02216 |
| Heavy Atoms | 21 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 10441-02-8 |
|---|---|
| SMILES | C1=CC(=CC2=C1C=CC(=O)O2)OC(=O)N(CCCl)CCCl |
| InChIKey | TUCDUWZVPCYWFQ-UHFFFAOYSA-N |
Product Overview
(2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate (CAS 10441-02-8), with molecular formula C14H13Cl2NO4 and molecular weight 329.02 g/mol. IUPAC: (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate.
Chemical Property Profile of (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate
Property Insights of (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate. With a topological polar surface area (TPSA) of 55.8 Ų, (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate has 0 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 (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate?
The CAS number of (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate is 10441-02-8.
What is the molecular formula of (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate?
The molecular formula of (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate is C14H13Cl2NO4.
What is the molecular weight of (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate?
The molecular weight of (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate is 329.02 g/mol.
Where can I buy (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate?
You can request a quote for (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.