21'-Oxovobtusine
TL;DR: 21'-Oxovobtusine (CAS 19772-81-7) is a chemical compound with molecular formula C43H48N4O7 and molecular weight 732.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 24'-hydroxy-19'-methoxy-9'-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate
Also Known As: 21'-oxovobtusine, Vobtusine lactone, methyl 24'-hydroxy-19'-methoxy-9'-oxospiro(15-oxa-8,19-diazahexacyclo(10.9.1.01,9.02,7.012,16.019,22)docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo(11.10.1.11,4.07,11.017,24.018,23.011,25)pentacosa-18(23),19,21-triene)-10-carboxylate, methyl 24'-hydroxy-19'-methoxy-9'-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate
| Molecular Formula | C43H48N4O7 |
|---|---|
| Molecular Weight | 732.35 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 732.3523 |
| Heavy Atoms | 54 |
| Complexity | 1760.0 |
Chemical Identifiers
| CAS Number | 19772-81-7 |
|---|---|
| SMILES | COC1=CC=CC2=C1N3CC4(CC5C3(C26CCN7C6C8(C5)CC(=O)OC8CC7)O)CN9CCC12C9C3(C4OCC3)CC(=C1NC1=CC=CC=C21)C(=O)OC |
| InChIKey | RWRDIJCXMDTYOZ-UHFFFAOYSA-N |
Product Overview
21'-Oxovobtusine (CAS 19772-81-7), with molecular formula C43H48N4O7 and molecular weight 732.35 g/mol. IUPAC: methyl 24'-hydroxy-19'-methoxy-9'-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate.
Chemical Property Profile of 21'-Oxovobtusine
Property Insights of 21'-Oxovobtusine
The XLogP value of 3.6 indicates that 21'-Oxovobtusine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 21'-Oxovobtusine. Following Lipinski's Rule of Five, 21'-Oxovobtusine has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 21'-Oxovobtusine?
The CAS number of 21'-Oxovobtusine is 19772-81-7.
What is the molecular formula of 21'-Oxovobtusine?
The molecular formula of 21'-Oxovobtusine is C43H48N4O7.
What is the molecular weight of 21'-Oxovobtusine?
The molecular weight of 21'-Oxovobtusine is 732.35 g/mol.
Where can I buy 21'-Oxovobtusine?
You can request a quote for 21'-Oxovobtusine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21'-Oxovobtusine?
Yes, KEHONG BIO provides custom synthesis services for 21'-Oxovobtusine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.