Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate
TL;DR: Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate (CAS 902-25-0) is a chemical compound with molecular formula C9H16Cl3NO3 and molecular weight 291.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-(2,2,3-trichloro-1-hydroxybutyl)carbamate
Also Known As: butyl(2,2,3-trichloro-1-hydroxybutyl)carbamate, butyl N-(2,2,3-trichloro-1-hydroxybutyl)carbamate, Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate, Carbamic acid,2,3-trichloro-1-hydroxybutyl)-, butyl ester, Carbamic acid,2,3-trichloro-1-hydroxybutyl-, butyl ester
| Molecular Formula | C9H16Cl3NO3 |
|---|---|
| Molecular Weight | 291.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 291.01956 |
| Heavy Atoms | 16 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 902-25-0 |
|---|---|
| SMILES | CCCCOC(=O)NC(C(C(C)Cl)(Cl)Cl)O |
| InChIKey | MIRAXEOSBWOYBB-UHFFFAOYSA-N |
Product Overview
Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate (CAS 902-25-0), with molecular formula C9H16Cl3NO3 and molecular weight 291.02 g/mol. IUPAC: butyl N-(2,2,3-trichloro-1-hydroxybutyl)carbamate.
Chemical Property Profile of Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate
Property Insights of Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate. With a topological polar surface area (TPSA) of 58.6 Ų, Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate has 2 hydrogen bond donor(s) and 3 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 Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate?
The CAS number of Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate is 902-25-0.
What is the molecular formula of Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate?
The molecular formula of Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate is C9H16Cl3NO3.
What is the molecular weight of Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate?
The molecular weight of Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate is 291.02 g/mol.
Where can I buy Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate?
You can request a quote for Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for Butyl hydrogen (2,2,3-trichloro-1-hydroxybutyl)carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.