1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2)
TL;DR: 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2) (CAS 69242-10-0) is a chemical compound with molecular formula C9H15BrCl2N2O and molecular weight 315.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(2-bromoanilino)propan-2-ol;dihydrochloride
Also Known As: 1-Amino-3-(o-bromoanilino)-2-propanol dihydrochloride, 2-Propanol, 1-amino-3-(o-bromoanilino)-, dihydrochloride, dl-, 2-Propanol, 1-amino-3-((2-bromophenyl)amino)-, dihydrochloride, 1-amino-3-(2-bromoanilino)propan-2-ol dihydrochloride, 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2)
| Molecular Formula | C9H15BrCl2N2O |
|---|---|
| Molecular Weight | 315.97 g/mol |
| LogP | 2.0242 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.9745 |
| Heavy Atoms | 15 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 69242-10-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NCC(CN)O)Br.Cl.Cl |
| InChIKey | WZRFRSMMHIDEDW-UHFFFAOYSA-N |
Product Overview
1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2) (CAS 69242-10-0), with molecular formula C9H15BrCl2N2O and molecular weight 315.97 g/mol. IUPAC: 1-amino-3-(2-bromoanilino)propan-2-ol;dihydrochloride.
Chemical Property Profile of 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2)
Property Insights of 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2)
The XLogP value of 2.0242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2). With a topological polar surface area (TPSA) of 58.3 Ų, 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2) has 5 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 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2)?
The CAS number of 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2) is 69242-10-0.
What is the molecular formula of 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2)?
The molecular formula of 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2) is C9H15BrCl2N2O.
What is the molecular weight of 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2)?
The molecular weight of 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2) is 315.97 g/mol.
Where can I buy 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2)?
You can request a quote for 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2)?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-3-(2-bromoanilino)propan-2-ol--hydrogen chloride (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.