Ro 31-4639
TL;DR: Ro 31-4639 (CAS 125131-65-9) is a chemical compound with molecular formula C21H46BrNO and molecular weight 407.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(octadecylamino)propan-2-ol;hydrobromide
Also Known As: Ro 31-4639, 2-Propanol, 1-(octadecylamino)-, hydrobromide, Ro-31-4639, 1-(octadecylamino)propan-2-ol;hydrobromide, 1-(octadecylamino)propan-2-ol hydrobromide
| Molecular Formula | C21H46BrNO |
|---|---|
| Molecular Weight | 407.28 g/mol |
| LogP | 6.7962 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 407.27628 |
| Heavy Atoms | 24 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 125131-65-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNCC(C)O.Br |
| InChIKey | VOFITRMVQDVCPK-UHFFFAOYSA-N |
Product Overview
Ro 31-4639 (CAS 125131-65-9), with molecular formula C21H46BrNO and molecular weight 407.28 g/mol. IUPAC: 1-(octadecylamino)propan-2-ol;hydrobromide.
Chemical Property Profile of Ro 31-4639
Property Insights of Ro 31-4639
The XLogP value of 6.7962 indicates that Ro 31-4639 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, Ro 31-4639 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 31-4639 has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ro 31-4639?
The CAS number of Ro 31-4639 is 125131-65-9.
What is the molecular formula of Ro 31-4639?
The molecular formula of Ro 31-4639 is C21H46BrNO.
What is the molecular weight of Ro 31-4639?
The molecular weight of Ro 31-4639 is 407.28 g/mol.
Where can I buy Ro 31-4639?
You can request a quote for Ro 31-4639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 31-4639?
Yes, KEHONG BIO provides custom synthesis services for Ro 31-4639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.