Becatecarin
TL;DR: Becatecarin (CAS 119673-08-4) is a chemical compound with molecular formula C33H34Cl2N4O7 and molecular weight 668.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,21-dichloro-13-[2-(diethylamino)ethyl]-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
Also Known As: Becatecarin, Becatecarina, Becatecarine, DEAE-Rebeccamycin, becatecarinum
| Molecular Formula | C33H34Cl2N4O7 |
|---|---|
| Molecular Weight | 668.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 668.1805 |
| Heavy Atoms | 46 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 119673-08-4 |
|---|---|
| SMILES | CCN(CC)CCN1C(=O)C2=C3C4=C(C(=CC=C4)Cl)NC3=C5C(=C2C1=O)C6=C(N5[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)OC)O)O)C(=CC=C6)Cl |
| InChIKey | JSKFWUPVIZYJMR-UDOAKELVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Becatecarin (CAS 119673-08-4), with molecular formula C33H34Cl2N4O7 and molecular weight 668.18 g/mol. IUPAC: 5,21-dichloro-13-[2-(diethylamino)ethyl]-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione.
Chemical Property Profile of Becatecarin
Property Insights of Becatecarin
The XLogP value of 3.6 indicates that Becatecarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Becatecarin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Becatecarin has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Becatecarin?
The CAS number of Becatecarin is 119673-08-4.
What is the molecular formula of Becatecarin?
The molecular formula of Becatecarin is C33H34Cl2N4O7.
What is the molecular weight of Becatecarin?
The molecular weight of Becatecarin is 668.18 g/mol.
Where can I buy Becatecarin?
You can request a quote for Becatecarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Becatecarin?
Yes, KEHONG BIO provides custom synthesis services for Becatecarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.