RefChem:123402
TL;DR: RefChem:123402 (CAS 68133-14-2) is a chemical compound with molecular formula C27H34N5O9P and molecular weight 603.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[diethoxyphosphorylmethyl-[2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl]amino]ethyl N-[3-(isocyanatomethyl)phenyl]carbamate
Also Known As: Carbamic acid, (3-isocyanatomethylphenyl)-, [[(diethoxyphosphinyl)methyl]imino]di-2,1-ethanediyl ester, diethyl({bis[2-({[3-(isocyanatomethyl)phenyl]carbamoyl}oxy)ethyl]amino}methyl)phosphonate, Carbamic acid, (3-isocyanatomethylphenyl)-, (((diethoxyphosphinyl)methyl)imino)di-2,1-ethanediyl ester, Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-((((diethoxyphosphinyl)methyl)imino)di-2,1-ethanediyl) ester, diethyl ({bis[2-({[3-(isocyanatomethyl)phenyl]carbamoyl}oxy)ethyl]amino}methyl)phosphonate
| Molecular Formula | C27H34N5O9P |
|---|---|
| Molecular Weight | 603.21 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 20 |
| Exact Mass | 603.2094 |
| Heavy Atoms | 42 |
| Complexity | 904.0 |
Chemical Identifiers
| CAS Number | 68133-14-2 |
|---|---|
| SMILES | CCOP(=O)(CN(CCOC(=O)NC1=CC=CC(=C1)CN=C=O)CCOC(=O)NC2=CC=CC(=C2)CN=C=O)OCC |
| InChIKey | RRVAANXPJRHAHV-UHFFFAOYSA-N |
Product Overview
RefChem:123402 (CAS 68133-14-2), with molecular formula C27H34N5O9P and molecular weight 603.21 g/mol. IUPAC: 2-[diethoxyphosphorylmethyl-[2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl]amino]ethyl N-[3-(isocyanatomethyl)phenyl]carbamate.
Chemical Property Profile of RefChem:123402
Property Insights of RefChem:123402
The XLogP value of 4.4 indicates that RefChem:123402 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 Ų indicates high polarity, suggesting RefChem:123402 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:123402 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:123402?
The CAS number of RefChem:123402 is 68133-14-2.
What is the molecular formula of RefChem:123402?
The molecular formula of RefChem:123402 is C27H34N5O9P.
What is the molecular weight of RefChem:123402?
The molecular weight of RefChem:123402 is 603.21 g/mol.
Where can I buy RefChem:123402?
You can request a quote for RefChem:123402 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:123402?
Yes, KEHONG BIO provides custom synthesis services for RefChem:123402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.