Di-sec-butylcarbamoyl chloride
TL;DR: Di-sec-butylcarbamoyl chloride (CAS 36756-72-6) is a chemical compound with molecular formula C9H18ClNO and molecular weight 191.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-di(butan-2-yl)carbamoyl chloride
Also Known As: Di-sec-butylcarbamoyl chloride, EINECS 253-189-9, BIS CARBAMICCHLORIDE, Di-sec-butylcarbamic chloride, Dibutan-2-ylcarbamyl chloride
| Molecular Formula | C9H18ClNO |
|---|---|
| Molecular Weight | 191.11 g/mol |
| LogP | 3.2442 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.1077 |
| Heavy Atoms | 12 |
| Complexity | 139.46396 |
Chemical Identifiers
| CAS Number | 36756-72-6 |
|---|---|
| SMILES | CCC(C)N(C(C)CC)C(=O)Cl |
Product Overview
Di-sec-butylcarbamoyl chloride (CAS 36756-72-6), with molecular formula C9H18ClNO and molecular weight 191.11 g/mol. IUPAC: N,N-di(butan-2-yl)carbamoyl chloride.
Chemical Property Profile of Di-sec-butylcarbamoyl chloride
Property Insights of Di-sec-butylcarbamoyl chloride
The XLogP value of 3.2442 indicates that Di-sec-butylcarbamoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, Di-sec-butylcarbamoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-sec-butylcarbamoyl chloride has 0 hydrogen bond donor(s) and 1 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-sec-butylcarbamoyl chloride?
The CAS number of Di-sec-butylcarbamoyl chloride is 36756-72-6.
What is the molecular formula of Di-sec-butylcarbamoyl chloride?
The molecular formula of Di-sec-butylcarbamoyl chloride is C9H18ClNO.
What is the molecular weight of Di-sec-butylcarbamoyl chloride?
The molecular weight of Di-sec-butylcarbamoyl chloride is 191.11 g/mol.
Where can I buy Di-sec-butylcarbamoyl chloride?
You can request a quote for Di-sec-butylcarbamoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-sec-butylcarbamoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Di-sec-butylcarbamoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.