2'-Chloroetoposide
TL;DR: 2'-Chloroetoposide (CAS 138261-30-0) is a chemical compound with molecular formula C29H31ClO13 and molecular weight 622.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,5aR,8aR,9S)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Also Known As: 2'-Chloroetoposide, Furan,2-(1-chloroethyl)tetrahydro, (5S,5aR,8aR,9S)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, (5S-(5alpha,5abeta,8aalpha,9beta(S*)))-5-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)-9-((4,6-O-ethylidene-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydrofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, (5S,5aR,8aR,9S)-9-(2-Chloro-4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside
| Molecular Formula | C29H31ClO13 |
|---|---|
| Molecular Weight | 622.15 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 622.1453 |
| Heavy Atoms | 43 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 138261-30-0 |
|---|---|
| SMILES | C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7Cl)OC)O)OC)O)O |
| InChIKey | DZMCFYWOYIRWSO-LBBLGMBRSA-N |
Product Overview
2'-Chloroetoposide (CAS 138261-30-0), with molecular formula C29H31ClO13 and molecular weight 622.15 g/mol. IUPAC: (5S,5aR,8aR,9S)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one.
Chemical Property Profile of 2'-Chloroetoposide
Property Insights of 2'-Chloroetoposide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Chloroetoposide. The TPSA of 161.0 Ų indicates high polarity, suggesting 2'-Chloroetoposide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Chloroetoposide has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-Chloroetoposide?
The CAS number of 2'-Chloroetoposide is 138261-30-0.
What is the molecular formula of 2'-Chloroetoposide?
The molecular formula of 2'-Chloroetoposide is C29H31ClO13.
What is the molecular weight of 2'-Chloroetoposide?
The molecular weight of 2'-Chloroetoposide is 622.15 g/mol.
Where can I buy 2'-Chloroetoposide?
You can request a quote for 2'-Chloroetoposide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Chloroetoposide?
Yes, KEHONG BIO provides custom synthesis services for 2'-Chloroetoposide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.