3-Bromocyclophosphamide
TL;DR: 3-Bromocyclophosphamide (CAS 87154-31-2) is a chemical compound with molecular formula C7H14BrCl2N2O2P and molecular weight 337.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
Also Known As: 3-Bromocyclophosphamide, 3-bromo-N,N-bis(2-chloroethyl)-2-oxo-1,3,2, 2H-1,3,2-Oxazaphosphorin-2-amine, 3-bromo-N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, 3-bromo-N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan
| Molecular Formula | C7H14BrCl2N2O2P |
|---|---|
| Molecular Weight | 337.94 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.93533 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 87154-31-2 |
|---|---|
| SMILES | C1CN(P(=O)(OC1)N(CCCl)CCCl)Br |
| InChIKey | AQFUPVUTQOBSTG-UHFFFAOYSA-N |
Product Overview
3-Bromocyclophosphamide (CAS 87154-31-2), with molecular formula C7H14BrCl2N2O2P and molecular weight 337.94 g/mol. IUPAC: 3-bromo-N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine.
Chemical Property Profile of 3-Bromocyclophosphamide
Property Insights of 3-Bromocyclophosphamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromocyclophosphamide. With a topological polar surface area (TPSA) of 32.8 Ų, 3-Bromocyclophosphamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromocyclophosphamide 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-Bromocyclophosphamide?
The CAS number of 3-Bromocyclophosphamide is 87154-31-2.
What is the molecular formula of 3-Bromocyclophosphamide?
The molecular formula of 3-Bromocyclophosphamide is C7H14BrCl2N2O2P.
What is the molecular weight of 3-Bromocyclophosphamide?
The molecular weight of 3-Bromocyclophosphamide is 337.94 g/mol.
Where can I buy 3-Bromocyclophosphamide?
You can request a quote for 3-Bromocyclophosphamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromocyclophosphamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromocyclophosphamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.