Benzyl-(1-amino-3-chloro-2-propanol)
TL;DR: Benzyl-(1-amino-3-chloro-2-propanol) (CAS 278788-93-5) is a chemical compound with molecular formula C10H14ClNO and molecular weight 199.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzylamino)-3-chloropropan-2-ol
Also Known As: 1-(benzylamino)-3-chloropropan-2-ol, BACP, Baricitinib Impurity 102, 1-benzylamino-3-chloropropane-2-ol, 3-amino-1-chloro-4-phenylbutan-2-ol
| Molecular Formula | C10H14ClNO |
|---|---|
| Molecular Weight | 199.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 199.07639 |
| Heavy Atoms | 13 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 278788-93-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCC(CCl)O |
| InChIKey | XNPBVLLNKJHQAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl-(1-amino-3-chloro-2-propanol) (CAS 278788-93-5), with molecular formula C10H14ClNO and molecular weight 199.08 g/mol. IUPAC: 1-(benzylamino)-3-chloropropan-2-ol.
Chemical Property Profile of Benzyl-(1-amino-3-chloro-2-propanol)
Property Insights of Benzyl-(1-amino-3-chloro-2-propanol)
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl-(1-amino-3-chloro-2-propanol). With a topological polar surface area (TPSA) of 32.3 Ų, Benzyl-(1-amino-3-chloro-2-propanol) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl-(1-amino-3-chloro-2-propanol) 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 Benzyl-(1-amino-3-chloro-2-propanol)?
The CAS number of Benzyl-(1-amino-3-chloro-2-propanol) is 278788-93-5.
What is the molecular formula of Benzyl-(1-amino-3-chloro-2-propanol)?
The molecular formula of Benzyl-(1-amino-3-chloro-2-propanol) is C10H14ClNO.
What is the molecular weight of Benzyl-(1-amino-3-chloro-2-propanol)?
The molecular weight of Benzyl-(1-amino-3-chloro-2-propanol) is 199.08 g/mol.
Where can I buy Benzyl-(1-amino-3-chloro-2-propanol)?
You can request a quote for Benzyl-(1-amino-3-chloro-2-propanol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl-(1-amino-3-chloro-2-propanol)?
Yes, KEHONG BIO provides custom synthesis services for Benzyl-(1-amino-3-chloro-2-propanol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.