雷莫司汀
TL;DR: 雷莫司汀 (CAS 58994-96-0) is a chemical compound with molecular formula C10H18ClN3O7 and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
雷莫司汀
1-(2-chloroethyl)-1-nitroso-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]urea
Also Known As: Ranimustine, Cymerin, Cymerine, Ranimustina, ranomustine
| Molecular Formula | C10H18ClN3O7 |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.0833 |
| Heavy Atoms | 21 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 58994-96-0 |
|---|---|
| SMILES | CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CNC(=O)N(CCCl)N=O)O)O)O |
| InChIKey | AHHFEZNOXOZZQA-ZEBDFXRSSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
雷莫司汀 (CAS 58994-96-0), with molecular formula C10H18ClN3O7 and molecular weight 327.08 g/mol. IUPAC: 1-(2-chloroethyl)-1-nitroso-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]urea.
Chemical Property Profile of 雷莫司汀
Property Insights of 雷莫司汀
The XLogP value of -1.7 indicates that 雷莫司汀 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting 雷莫司汀 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 雷莫司汀 has 4 hydrogen bond donor(s) and 8 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 雷莫司汀?
The CAS number of 雷莫司汀 is 58994-96-0.
What is the molecular formula of 雷莫司汀?
The molecular formula of 雷莫司汀 is C10H18ClN3O7.
What is the molecular weight of 雷莫司汀?
The molecular weight of 雷莫司汀 is 327.08 g/mol.
Where can I buy 雷莫司汀?
You can request a quote for 雷莫司汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 雷莫司汀?
Yes, KEHONG BIO provides custom synthesis services for 雷莫司汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.