1,6,6a-三硫杂戊搭烯
TL;DR: 1,6,6a-三硫杂戊搭烯 (CAS 252-09-5) 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.
1,6,6a-三硫杂戊搭烯
N,N-bis(2-chloroethyl)-3-methyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
Also Known As: N-Methyl Cyclophosphamide, Cyclophosphamide Impurity 19, Cyclophosphamide Impurity B, Cyclophosphamide Impurity C, B 694
| Molecular Formula | C8H17Cl2N2O2P |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.04047 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 252-09-5 |
|---|---|
| SMILES | CN1CCCOP1(=O)N(CCCl)CCCl |
| InChIKey | GTSZJFSUYZICDS-UHFFFAOYSA-N |
Product Overview
1,6,6a-三硫杂戊搭烯 (CAS 252-09-5), with molecular formula C8H17Cl2N2O2P and molecular weight 274.04 g/mol. IUPAC: N,N-bis(2-chloroethyl)-3-methyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine.
Chemical Property Profile of 1,6,6a-三硫杂戊搭烯
Property Insights of 1,6,6a-三硫杂戊搭烯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6,6a-三硫杂戊搭烯. With a topological polar surface area (TPSA) of 32.8 Ų, 1,6,6a-三硫杂戊搭烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6,6a-三硫杂戊搭烯 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 1,6,6a-三硫杂戊搭烯?
The CAS number of 1,6,6a-三硫杂戊搭烯 is 252-09-5.
What is the molecular formula of 1,6,6a-三硫杂戊搭烯?
The molecular formula of 1,6,6a-三硫杂戊搭烯 is C8H17Cl2N2O2P.
What is the molecular weight of 1,6,6a-三硫杂戊搭烯?
The molecular weight of 1,6,6a-三硫杂戊搭烯 is 274.04 g/mol.
Where can I buy 1,6,6a-三硫杂戊搭烯?
You can request a quote for 1,6,6a-三硫杂戊搭烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6,6a-三硫杂戊搭烯?
Yes, KEHONG BIO provides custom synthesis services for 1,6,6a-三硫杂戊搭烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.