![[3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate structure](/static/products/5484/54845-15-7.webp)
[3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate
TL;DR: [3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate (CAS 54845-15-7) is a chemical compound with molecular formula C12H15Cl2N3O4 and molecular weight 335.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate
Also Known As: [3-[bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate|1, 5-[bis(2-chloroethyl)amino]-, dicarbamate (ester)|5-[Bis(2-chloroethyl)amino]-1,3-phenylene dicarbamate|1,3-Benzenediol, 5-[bis(2-chloroethyl)amino]-, dicarbamate (ester)
| Molecular Formula | C12H15Cl2N3O4 |
|---|---|
| Molecular Weight | 335.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 335.04398 |
| Heavy Atoms | 21 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 54845-15-7 |
|---|---|
| SMILES | C1=C(C=C(C=C1OC(=O)N)OC(=O)N)N(CCCl)CCCl |
| InChIKey | YGGDABPJGGNPPC-UHFFFAOYSA-N |
Product Overview
[3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate (CAS 54845-15-7), with molecular formula C12H15Cl2N3O4 and molecular weight 335.04 g/mol. IUPAC: [3-[bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate.
Chemical Property Profile of [3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate
Property Insights of [3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate. Following Lipinski's Rule of Five, [3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate has 2 hydrogen bond donor(s) and 5 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)amino]-5-carbamoyloxyphenyl] carbamate?
The CAS number of [3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate is 54845-15-7.
What is the molecular formula of [3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate?
The molecular formula of [3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate is C12H15Cl2N3O4.
What is the molecular weight of [3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate?
The molecular weight of [3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate is 335.04 g/mol.
Where can I buy [3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate?
You can request a quote for [3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate 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)amino]-5-carbamoyloxyphenyl] carbamate?
Yes, KEHONG BIO provides custom synthesis services for [3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.