4-S-(己烷-6-醇)硫代环磷酰胺
TL;DR: 4-S-(己烷-6-醇)硫代环磷酰胺 (CAS 72709-61-6) is a chemical compound with molecular formula C13H27Cl2N2O3PS and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-S-(己烷-6-醇)硫代环磷酰胺
6-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]sulfanyl]hexan-1-ol
Also Known As: 4-S-(Hexanol)-sulfido-CP, 4-S- sulfidocyclophosphamide, 4-S-(Hexane-6-ol)sulfidocyclophosphamide, 4-S-(Hexanol)-sulfido-cyclophosphamide, 4-S-(Hexane-6-ol)-sulfidocyclophosphamide (monomer)
| Molecular Formula | C13H27Cl2N2O3PS |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 392.0857 |
| Heavy Atoms | 22 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 72709-61-6 |
|---|---|
| SMILES | C1COP(=O)(NC1SCCCCCCO)N(CCCl)CCCl |
| InChIKey | VHWQUKUUTISGJN-UHFFFAOYSA-N |
Product Overview
4-S-(己烷-6-醇)硫代环磷酰胺 (CAS 72709-61-6), with molecular formula C13H27Cl2N2O3PS and molecular weight 392.09 g/mol. IUPAC: 6-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]sulfanyl]hexan-1-ol.
Chemical Property Profile of 4-S-(己烷-6-醇)硫代环磷酰胺
Property Insights of 4-S-(己烷-6-醇)硫代环磷酰胺
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-S-(己烷-6-醇)硫代环磷酰胺. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-S-(己烷-6-醇)硫代环磷酰胺. Following Lipinski's Rule of Five, 4-S-(己烷-6-醇)硫代环磷酰胺 has 2 hydrogen bond donor(s) and 6 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-S-(己烷-6-醇)硫代环磷酰胺?
The CAS number of 4-S-(己烷-6-醇)硫代环磷酰胺 is 72709-61-6.
What is the molecular formula of 4-S-(己烷-6-醇)硫代环磷酰胺?
The molecular formula of 4-S-(己烷-6-醇)硫代环磷酰胺 is C13H27Cl2N2O3PS.
What is the molecular weight of 4-S-(己烷-6-醇)硫代环磷酰胺?
The molecular weight of 4-S-(己烷-6-醇)硫代环磷酰胺 is 392.09 g/mol.
Where can I buy 4-S-(己烷-6-醇)硫代环磷酰胺?
You can request a quote for 4-S-(己烷-6-醇)硫代环磷酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-S-(己烷-6-醇)硫代环磷酰胺?
Yes, KEHONG BIO provides custom synthesis services for 4-S-(己烷-6-醇)硫代环磷酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.