Cerm 11956
TL;DR: Cerm 11956 (CAS 97631-49-7) is a chemical compound with molecular formula C29H38N2O7 and molecular weight 526.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-(3-butan-2-yloxy-2-pyrrolidin-1-ylpropyl)-1,3-benzodioxol-5-amine;(E)-but-2-enedioic acid
Also Known As: Cerm 11956, 97631-49-7 (fumarate), N-1,3-Benzodioxol-5-yl-B-((2-methylpropoxy)methyl)-N-(phenylmethyl)-1-pyrrolidineethanamide (E)-2-butenedioate (1:1), 2-(N-Pyrrolidino)-3-isobutoxy-N-(3,4-methylenedioxyphenyl)-N-benzylpropylamine fumarate, 1-Pyrrolidineethanamine, N-1,3-benzodioxol-5-yl-beta-((2-methylpropoxy)methyl)-N-(phenylmethyl)-, (E)-2-butenedioate (1:1)
| Molecular Formula | C29H38N2O7 |
|---|---|
| Molecular Weight | 526.27 g/mol |
| LogP | 4.4132 |
| Topological Polar Surface Area | 108.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 526.2679 |
| Heavy Atoms | 38 |
| Complexity | 1038.1471 |
Chemical Identifiers
| CAS Number | 97631-49-7 |
|---|---|
| SMILES | CCC(C)OCC(CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3)N4CCCC4.C(=C/C(=O)O)\C(=O)O |
Product Overview
Cerm 11956 (CAS 97631-49-7), with molecular formula C29H38N2O7 and molecular weight 526.27 g/mol. IUPAC: N-benzyl-N-(3-butan-2-yloxy-2-pyrrolidin-1-ylpropyl)-1,3-benzodioxol-5-amine;(E)-but-2-enedioic acid.
Chemical Property Profile of Cerm 11956
Property Insights of Cerm 11956
The XLogP value of 4.4132 indicates that Cerm 11956 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Cerm 11956. Following Lipinski's Rule of Five, Cerm 11956 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cerm 11956?
The CAS number of Cerm 11956 is 97631-49-7.
What is the molecular formula of Cerm 11956?
The molecular formula of Cerm 11956 is C29H38N2O7.
What is the molecular weight of Cerm 11956?
The molecular weight of Cerm 11956 is 526.27 g/mol.
Where can I buy Cerm 11956?
You can request a quote for Cerm 11956 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cerm 11956?
Yes, KEHONG BIO provides custom synthesis services for Cerm 11956 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.