Antineoplastic-D640199
TL;DR: Antineoplastic-D640199 (CAS 1198-99-8) 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-[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, Rebeccamycin analog, Becatecarin [USAN], Rebeccamycin derivative, Becatecarin [USAN:INN]
| 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 | 1198-99-8 |
|---|---|
| SMILES | CCN(CC)CCN1C(=O)C2=C3C4=C(C(=CC=C4)Cl)NC3=C5C(=C2C1=O)C6=C(N5C7C(C(C(C(O7)CO)OC)O)O)C(=CC=C6)Cl |
| InChIKey | JSKFWUPVIZYJMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Antineoplastic-D640199 (CAS 1198-99-8), with molecular formula C33H34Cl2N4O7 and molecular weight 668.18 g/mol. IUPAC: 5,21-dichloro-13-[2-(diethylamino)ethyl]-3-[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 Antineoplastic-D640199
Property Insights of Antineoplastic-D640199
The XLogP value of 3.6 indicates that Antineoplastic-D640199 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Antineoplastic-D640199 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antineoplastic-D640199 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 Antineoplastic-D640199?
The CAS number of Antineoplastic-D640199 is 1198-99-8.
What is the molecular formula of Antineoplastic-D640199?
The molecular formula of Antineoplastic-D640199 is C33H34Cl2N4O7.
What is the molecular weight of Antineoplastic-D640199?
The molecular weight of Antineoplastic-D640199 is 668.18 g/mol.
Where can I buy Antineoplastic-D640199?
You can request a quote for Antineoplastic-D640199 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antineoplastic-D640199?
Yes, KEHONG BIO provides custom synthesis services for Antineoplastic-D640199 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.