尼莫司汀
TL;DR: 尼莫司汀 (CAS 42471-28-3) is a chemical compound with molecular formula C9H13ClN6O2 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
尼莫司汀
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea
Also Known As: NIMUSTINE, Nimustin, Nimustina, Nimustinum, Nimustine hydrochloride
| Molecular Formula | C9H13ClN6O2 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.07886 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 42471-28-3 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CNC(=O)N(CCCl)N=O |
| InChIKey | VFEDRRNHLBGPNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
尼莫司汀 (CAS 42471-28-3), with molecular formula C9H13ClN6O2 and molecular weight 272.08 g/mol. IUPAC: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea.
Chemical Property Profile of 尼莫司汀
Property Insights of 尼莫司汀
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 尼莫司汀. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 尼莫司汀. Following Lipinski's Rule of Five, 尼莫司汀 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 尼莫司汀?
The CAS number of 尼莫司汀 is 42471-28-3.
What is the molecular formula of 尼莫司汀?
The molecular formula of 尼莫司汀 is C9H13ClN6O2.
What is the molecular weight of 尼莫司汀?
The molecular weight of 尼莫司汀 is 272.08 g/mol.
Where can I buy 尼莫司汀?
You can request a quote for 尼莫司汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 尼莫司汀?
Yes, KEHONG BIO provides custom synthesis services for 尼莫司汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.