RefChem:331676
TL;DR: RefChem:331676 (CAS 81733-39-3) is a chemical compound with molecular formula C10H20Cl2N3O5P and molecular weight 363.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]oxy]carbamate
Also Known As: Carbamic acid, ((2-(bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)oxy)-, ethyl ester, P-oxide, ethyl N-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2, Ethyl hydrogen ({2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda~5~-oxazaphosphinan-4-yl}oxy)carbonimidate, Ethyl N-[[2-[bis(2-chloroethyl)amino]-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohex-4-yl]oxy]carbamate, Ethyl-2-[bis-(2-chloroethyl)-amino]-2-oxo-tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl-oxy-carbamate
| Molecular Formula | C10H20Cl2N3O5P |
|---|---|
| Molecular Weight | 363.05 g/mol |
| LogP | 1.8878 |
| Topological Polar Surface Area | 89.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 363.05176 |
| Heavy Atoms | 21 |
| Complexity | 370.60233 |
Chemical Identifiers
| CAS Number | 81733-39-3 |
|---|---|
| SMILES | CCOC(=O)NOC1CCOP(=O)(N1)N(CCCl)CCCl |
Product Overview
RefChem:331676 (CAS 81733-39-3), with molecular formula C10H20Cl2N3O5P and molecular weight 363.05 g/mol. IUPAC: ethyl N-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]oxy]carbamate.
Chemical Property Profile of RefChem:331676
Property Insights of RefChem:331676
The XLogP value of 1.8878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331676. The TPSA of 89.13 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331676. Following Lipinski's Rule of Five, RefChem:331676 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 RefChem:331676?
The CAS number of RefChem:331676 is 81733-39-3.
What is the molecular formula of RefChem:331676?
The molecular formula of RefChem:331676 is C10H20Cl2N3O5P.
What is the molecular weight of RefChem:331676?
The molecular weight of RefChem:331676 is 363.05 g/mol.
Where can I buy RefChem:331676?
You can request a quote for RefChem:331676 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331676?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.