4-Methylcyclophosphamide
TL;DR: 4-Methylcyclophosphamide (CAS 52663-82-8) is a chemical compound with molecular formula C8H17Cl2N2O2P and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-methyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
Also Known As: 4-Methylcyclophosphamide, KST-1A6310, B 699, B-699, N,N-bis(2-chloroethyl)-4-methyl-2-oxo-1,3,2
| Molecular Formula | C8H17Cl2N2O2P |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.04047 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 52663-82-8 |
|---|---|
| SMILES | CC1CCOP(=O)(N1)N(CCCl)CCCl |
| InChIKey | WVOVAJAOADLLIN-UHFFFAOYSA-N |
Product Overview
4-Methylcyclophosphamide (CAS 52663-82-8), with molecular formula C8H17Cl2N2O2P and molecular weight 274.04 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-methyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine.
Chemical Property Profile of 4-Methylcyclophosphamide
Property Insights of 4-Methylcyclophosphamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylcyclophosphamide. With a topological polar surface area (TPSA) of 41.6 Ų, 4-Methylcyclophosphamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylcyclophosphamide has 1 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-Methylcyclophosphamide?
The CAS number of 4-Methylcyclophosphamide is 52663-82-8.
What is the molecular formula of 4-Methylcyclophosphamide?
The molecular formula of 4-Methylcyclophosphamide is C8H17Cl2N2O2P.
What is the molecular weight of 4-Methylcyclophosphamide?
The molecular weight of 4-Methylcyclophosphamide is 274.04 g/mol.
Where can I buy 4-Methylcyclophosphamide?
You can request a quote for 4-Methylcyclophosphamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylcyclophosphamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylcyclophosphamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.