4-Ureidooxycyclophosphamide
TL;DR: 4-Ureidooxycyclophosphamide (CAS 81732-70-9) is a chemical compound with molecular formula C8H17Cl2N4O4P and molecular weight 334.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4R)-2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]oxyurea
Also Known As: 4-Ureidooxycyclophosphamide, 4-Ureidooxycyclophosphamide (cis)-, Urea, ((2-(bis(2-chloroethyl)amino)tetrahydro-2-oxido-2H-1,3,2-oxazaphosphorin-4-yl)oxy)-, cis-, Urea, ((2-(bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)oxy)-, P-oxide, cis-
| Molecular Formula | C8H17Cl2N4O4P |
|---|---|
| Molecular Weight | 334.04 g/mol |
| LogP | 0.81 |
| Topological Polar Surface Area | 105.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.03644 |
| Heavy Atoms | 19 |
| Complexity | 342.71063 |
Chemical Identifiers
| CAS Number | 81732-70-9 |
|---|---|
| SMILES | C1CO[P@](=O)(N[C@@H]1ONC(=O)N)N(CCCl)CCCl |
Product Overview
4-Ureidooxycyclophosphamide (CAS 81732-70-9), with molecular formula C8H17Cl2N4O4P and molecular weight 334.04 g/mol. IUPAC: [(2R,4R)-2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]oxyurea.
Chemical Property Profile of 4-Ureidooxycyclophosphamide
Property Insights of 4-Ureidooxycyclophosphamide
The XLogP value of 0.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ureidooxycyclophosphamide. The TPSA of 105.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ureidooxycyclophosphamide. Following Lipinski's Rule of Five, 4-Ureidooxycyclophosphamide has 3 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 4-Ureidooxycyclophosphamide?
The CAS number of 4-Ureidooxycyclophosphamide is 81732-70-9.
What is the molecular formula of 4-Ureidooxycyclophosphamide?
The molecular formula of 4-Ureidooxycyclophosphamide is C8H17Cl2N4O4P.
What is the molecular weight of 4-Ureidooxycyclophosphamide?
The molecular weight of 4-Ureidooxycyclophosphamide is 334.04 g/mol.
Where can I buy 4-Ureidooxycyclophosphamide?
You can request a quote for 4-Ureidooxycyclophosphamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ureidooxycyclophosphamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Ureidooxycyclophosphamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.