3-Amino-1,1,1-trichloro-2-butanol
TL;DR: 3-Amino-1,1,1-trichloro-2-butanol (CAS 815-18-9) is a chemical compound with molecular formula C4H8Cl3NO and molecular weight 190.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1,1,1-trichlorobutan-2-ol
Also Known As: TCA-BU, 3-amino-1,1,1-trichlorobutan-2-ol, 3-Amino-1-trichloro-2-butanol, 2-Butanol,1,1-trichloro-, 3-Amino-1,1,1-trichloro-2-butanol
| Molecular Formula | C4H8Cl3NO |
|---|---|
| Molecular Weight | 190.97 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.96715 |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 815-18-9 |
|---|---|
| SMILES | CC(C(C(Cl)(Cl)Cl)O)N |
| InChIKey | XQPVQVUHNBBXHI-UHFFFAOYSA-N |
Product Overview
3-Amino-1,1,1-trichloro-2-butanol (CAS 815-18-9), with molecular formula C4H8Cl3NO and molecular weight 190.97 g/mol. IUPAC: 3-amino-1,1,1-trichlorobutan-2-ol.
Chemical Property Profile of 3-Amino-1,1,1-trichloro-2-butanol
Property Insights of 3-Amino-1,1,1-trichloro-2-butanol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1,1,1-trichloro-2-butanol. With a topological polar surface area (TPSA) of 46.3 Ų, 3-Amino-1,1,1-trichloro-2-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-1,1,1-trichloro-2-butanol 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 3-Amino-1,1,1-trichloro-2-butanol?
The CAS number of 3-Amino-1,1,1-trichloro-2-butanol is 815-18-9.
What is the molecular formula of 3-Amino-1,1,1-trichloro-2-butanol?
The molecular formula of 3-Amino-1,1,1-trichloro-2-butanol is C4H8Cl3NO.
What is the molecular weight of 3-Amino-1,1,1-trichloro-2-butanol?
The molecular weight of 3-Amino-1,1,1-trichloro-2-butanol is 190.97 g/mol.
Where can I buy 3-Amino-1,1,1-trichloro-2-butanol?
You can request a quote for 3-Amino-1,1,1-trichloro-2-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-1,1,1-trichloro-2-butanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1,1,1-trichloro-2-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.