3-Chlorocyclophosphamide
TL;DR: 3-Chlorocyclophosphamide (CAS 87154-30-1) is a chemical compound with molecular formula C7H14Cl3N2O2P and molecular weight 293.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
Also Known As: 3-Chlorocyclophosphamide, J1.590.339B, 3-chloro-N,N-bis(2-chloroethyl)-2-oxo-1,3,2, 2H-1,3,2-Oxazaphosphorin-2-amine, 3-chloro-N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, 2H-1,3,2-OXAZAPHOSPHORIN-2-AMINE,3-CHLORO-N,N-BI
| Molecular Formula | C7H14Cl3N2O2P |
|---|---|
| Molecular Weight | 293.99 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.98584 |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 87154-30-1 |
|---|---|
| SMILES | C1CN(P(=O)(OC1)N(CCCl)CCCl)Cl |
| InChIKey | OXWJXKSNQNYFAI-UHFFFAOYSA-N |
Product Overview
3-Chlorocyclophosphamide (CAS 87154-30-1), with molecular formula C7H14Cl3N2O2P and molecular weight 293.99 g/mol. IUPAC: 3-chloro-N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine.
Chemical Property Profile of 3-Chlorocyclophosphamide
Property Insights of 3-Chlorocyclophosphamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorocyclophosphamide. With a topological polar surface area (TPSA) of 32.8 Ų, 3-Chlorocyclophosphamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorocyclophosphamide 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 3-Chlorocyclophosphamide?
The CAS number of 3-Chlorocyclophosphamide is 87154-30-1.
What is the molecular formula of 3-Chlorocyclophosphamide?
The molecular formula of 3-Chlorocyclophosphamide is C7H14Cl3N2O2P.
What is the molecular weight of 3-Chlorocyclophosphamide?
The molecular weight of 3-Chlorocyclophosphamide is 293.99 g/mol.
Where can I buy 3-Chlorocyclophosphamide?
You can request a quote for 3-Chlorocyclophosphamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorocyclophosphamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorocyclophosphamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.