MDL-72527
TL;DR: MDL-72527 (CAS 99207-33-7) is a chemical compound with molecular formula C12H20N2 and molecular weight 192.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
MDL-72527
N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine
Also Known As: MDL-72527 free base, N1,N4-Di(buta-2,3-dienyl)butane-1,4-diamine, mdl 72527, MDL 72527 (free base), N1,N4-Di(buta-2,3-dien-1-yl)butane-1,4-diamine
| Molecular Formula | C12H20N2 |
|---|---|
| Molecular Weight | 192.16 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 192.16264 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 99207-33-7 |
|---|---|
| SMILES | C=C=CCNCCCCNCC=C=C |
| InChIKey | IKSQCMLJDHRWOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
MDL-72527 (CAS 99207-33-7), with molecular formula C12H20N2 and molecular weight 192.16 g/mol. IUPAC: N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine.
Chemical Property Profile of MDL-72527
Property Insights of MDL-72527
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MDL-72527. With a topological polar surface area (TPSA) of 24.1 Ų, MDL-72527 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MDL-72527 free base has 2 hydrogen bond donor(s) and 2 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 MDL-72527 free base?
The CAS number of MDL-72527 free base is 99207-33-7.
What is the molecular formula of MDL-72527 free base?
The molecular formula of MDL-72527 free base is C12H20N2.
What is the molecular weight of MDL-72527 free base?
The molecular weight of MDL-72527 free base is 192.16 g/mol.
Where can I buy MDL-72527 free base?
You can request a quote for MDL-72527 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MDL-72527 free base?
Yes, KEHONG BIO provides custom synthesis services for MDL-72527 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.