Di-n-butyl carbodiimide
TL;DR: Di-n-butyl carbodiimide (CAS 100248-74-6) is a chemical compound with molecular formula C9H18N2 and molecular weight 154.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-dibutylmethanediimine
Also Known As: di-n-butyl carbodiimide, dibutylcarbodiimide, N,N'-dibutylmethanediimine, di-n-butylcarbodiimide, N,N'-dibutylcarbodiimide
| Molecular Formula | C9H18N2 |
|---|---|
| Molecular Weight | 154.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 154.147 |
| Heavy Atoms | 11 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 100248-74-6 |
|---|---|
| SMILES | CCCCN=C=NCCCC |
| InChIKey | QAOHUQQBIYCWLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-n-butyl carbodiimide (CAS 100248-74-6), with molecular formula C9H18N2 and molecular weight 154.15 g/mol. IUPAC: N,N'-dibutylmethanediimine.
Chemical Property Profile of Di-n-butyl carbodiimide
Property Insights of Di-n-butyl carbodiimide
The XLogP value of 3.6 indicates that Di-n-butyl carbodiimide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.7 Ų, Di-n-butyl carbodiimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-n-butyl carbodiimide has 0 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 Di-n-butyl carbodiimide?
The CAS number of Di-n-butyl carbodiimide is 100248-74-6.
What is the molecular formula of Di-n-butyl carbodiimide?
The molecular formula of Di-n-butyl carbodiimide is C9H18N2.
What is the molecular weight of Di-n-butyl carbodiimide?
The molecular weight of Di-n-butyl carbodiimide is 154.15 g/mol.
Where can I buy Di-n-butyl carbodiimide?
You can request a quote for Di-n-butyl carbodiimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-n-butyl carbodiimide?
Yes, KEHONG BIO provides custom synthesis services for Di-n-butyl carbodiimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.