Bce 001
TL;DR: Bce 001 (CAS 95678-81-2) is a chemical compound with molecular formula C15H25Cl3N2O3 and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(dimethylamino)propan-2-yl 2-(4-chlorophenoxy)acetate;dihydrochloride
Also Known As: Bce 001, 1,3-bis(dimethylamino)propan-2-yl 2-(4-chlorophenoxy)acetate;dihydrochloride, 1,3-Bis(dimethylamino)isopropyl 4-chlorophenoxyacetate dihydrochloride, 1,3-Bis(dimethylamino)propan-2-yl (4-chlorophenoxy)acetate--hydrogen chloride (1/2), 1,3-bis(dimethylamino)propan-2-yl 2-(4-chlorophenoxy)acetate dihydrochloride
| Molecular Formula | C15H25Cl3N2O3 |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 2.5974 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 386.09308 |
| Heavy Atoms | 23 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 95678-81-2 |
|---|---|
| SMILES | CN(C)CC(CN(C)C)OC(=O)COC1=CC=C(C=C1)Cl.Cl.Cl |
| InChIKey | YDKRXMNKNUWSLG-UHFFFAOYSA-N |
Product Overview
Bce 001 (CAS 95678-81-2), with molecular formula C15H25Cl3N2O3 and molecular weight 386.09 g/mol. IUPAC: 1,3-bis(dimethylamino)propan-2-yl 2-(4-chlorophenoxy)acetate;dihydrochloride.
Chemical Property Profile of Bce 001
Property Insights of Bce 001
The XLogP value of 2.5974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bce 001. With a topological polar surface area (TPSA) of 42.0 Ų, Bce 001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bce 001 has 2 hydrogen bond donor(s) and 5 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 Bce 001?
The CAS number of Bce 001 is 95678-81-2.
What is the molecular formula of Bce 001?
The molecular formula of Bce 001 is C15H25Cl3N2O3.
What is the molecular weight of Bce 001?
The molecular weight of Bce 001 is 386.09 g/mol.
Where can I buy Bce 001?
You can request a quote for Bce 001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bce 001?
Yes, KEHONG BIO provides custom synthesis services for Bce 001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.