JM 3100
TL;DR: JM 3100 (CAS 155148-31-5) is a chemical compound with molecular formula C28H62Cl8N8 and molecular weight 790.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane;octahydrochloride
Also Known As: Plerixafor Octahydrochloride, Plerixafor, Bicyclam, Plerixafor hcl, Mozobil
| Molecular Formula | C28H62Cl8N8 |
|---|---|
| Molecular Weight | 790.26 g/mol |
| LogP | 3.79 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 794.25464 |
| Heavy Atoms | 44 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 155148-31-5 |
|---|---|
| SMILES | C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl |
| InChIKey | UEUPDYPUTTUXLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
JM 3100 (CAS 155148-31-5), with molecular formula C28H62Cl8N8 and molecular weight 790.26 g/mol. IUPAC: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane;octahydrochloride.
Chemical Property Profile of JM 3100
Property Insights of JM 3100
The XLogP value of 3.79 indicates that JM 3100 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for JM 3100. Following Lipinski's Rule of Five, JM 3100 has 14 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of JM 3100?
The CAS number of JM 3100 is 155148-31-5.
What is the molecular formula of JM 3100?
The molecular formula of JM 3100 is C28H62Cl8N8.
What is the molecular weight of JM 3100?
The molecular weight of JM 3100 is 790.26 g/mol.
Where can I buy JM 3100?
You can request a quote for JM 3100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for JM 3100?
Yes, KEHONG BIO provides custom synthesis services for JM 3100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.