Deacetoxyvinzolidine
TL;DR: Deacetoxyvinzolidine (CAS 165659-77-8) is a chemical compound with molecular formula C46H56ClN5O7 and molecular weight 825.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (13S,15R,17S)-13-[(1'R,5R,9'R,12'R,19'S)-3-(2-chloroethyl)-12'-ethyl-5'-methoxy-8'-methyl-2,4-dioxospiro[1,3-oxazolidine-5,10'-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene]-4'-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
Also Known As: deacetoxyvinzolidine, 1xa5, KAR 2, KAR2, SID:87692386
| Molecular Formula | C46H56ClN5O7 |
|---|---|
| Molecular Weight | 825.39 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 825.38684 |
| Heavy Atoms | 59 |
| Complexity | 1740.0 |
Chemical Identifiers
| CAS Number | 165659-77-8 |
|---|---|
| SMILES | CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@](C[C@@]1([C@@H]8N6C)C(=O)N(C(=O)O1)CCCl)(C=CC9)CC)OC)C(=O)OC)O |
| InChIKey | NUXKIZBEPYVRKP-RWBWKAGLSA-N |
Product Overview
Deacetoxyvinzolidine (CAS 165659-77-8), with molecular formula C46H56ClN5O7 and molecular weight 825.39 g/mol. IUPAC: methyl (13S,15R,17S)-13-[(1'R,5R,9'R,12'R,19'S)-3-(2-chloroethyl)-12'-ethyl-5'-methoxy-8'-methyl-2,4-dioxospiro[1,3-oxazolidine-5,10'-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene]-4'-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate.
Chemical Property Profile of Deacetoxyvinzolidine
Property Insights of Deacetoxyvinzolidine
The XLogP value of 4.9 indicates that Deacetoxyvinzolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Deacetoxyvinzolidine. Following Lipinski's Rule of Five, Deacetoxyvinzolidine has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deacetoxyvinzolidine?
The CAS number of Deacetoxyvinzolidine is 165659-77-8.
What is the molecular formula of Deacetoxyvinzolidine?
The molecular formula of Deacetoxyvinzolidine is C46H56ClN5O7.
What is the molecular weight of Deacetoxyvinzolidine?
The molecular weight of Deacetoxyvinzolidine is 825.39 g/mol.
Where can I buy Deacetoxyvinzolidine?
You can request a quote for Deacetoxyvinzolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deacetoxyvinzolidine?
Yes, KEHONG BIO provides custom synthesis services for Deacetoxyvinzolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.