16,34-Deepoxy-16-hydroxyscytophycin B
TL;DR: 16,34-Deepoxy-16-hydroxyscytophycin B (CAS 105694-31-3) is a chemical compound with molecular formula C45H75NO12 and molecular weight 821.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,17S,19S)-4,17-dihydroxy-3,5,7-trimethoxy-4,8,14-trimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylformamide
Also Known As: Scytophycin D, 16,34-Deepoxy-16-hydroxyscytophycin B, Scytophycin B, 16,34-deepoxy-16-hydroxy-, N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,17S,19S)-4,17-dihydroxy-3,5,7-trimethoxy-4,8,14-trimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylformamide
| Molecular Formula | C45H75NO12 |
|---|---|
| Molecular Weight | 821.53 g/mol |
| LogP | 5.3529 |
| Topological Polar Surface Area | 170.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 821.52893 |
| Heavy Atoms | 58 |
| Complexity | 1378.7847 |
Chemical Identifiers
| CAS Number | 105694-31-3 |
|---|---|
| SMILES | C[C@H]1[C@@H](C[C@@H]([C@@]([C@H](C[C@@H]2CC=C[C@@H](O2)C[C@H](C/C=C(/C=C/C(=O)O[C@@H]1[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC)O)\C)O)OC)(C)O)OC)OC |
Product Overview
16,34-Deepoxy-16-hydroxyscytophycin B (CAS 105694-31-3), with molecular formula C45H75NO12 and molecular weight 821.53 g/mol. IUPAC: N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,17S,19S)-4,17-dihydroxy-3,5,7-trimethoxy-4,8,14-trimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylformamide.
Chemical Property Profile of 16,34-Deepoxy-16-hydroxyscytophycin B
Property Insights of 16,34-Deepoxy-16-hydroxyscytophycin B
The XLogP value of 5.3529 indicates that 16,34-Deepoxy-16-hydroxyscytophycin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.52 Ų indicates high polarity, suggesting 16,34-Deepoxy-16-hydroxyscytophycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 16,34-Deepoxy-16-hydroxyscytophycin B has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 16,34-Deepoxy-16-hydroxyscytophycin B?
The CAS number of 16,34-Deepoxy-16-hydroxyscytophycin B is 105694-31-3.
What is the molecular formula of 16,34-Deepoxy-16-hydroxyscytophycin B?
The molecular formula of 16,34-Deepoxy-16-hydroxyscytophycin B is C45H75NO12.
What is the molecular weight of 16,34-Deepoxy-16-hydroxyscytophycin B?
The molecular weight of 16,34-Deepoxy-16-hydroxyscytophycin B is 821.53 g/mol.
Where can I buy 16,34-Deepoxy-16-hydroxyscytophycin B?
You can request a quote for 16,34-Deepoxy-16-hydroxyscytophycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16,34-Deepoxy-16-hydroxyscytophycin B?
Yes, KEHONG BIO provides custom synthesis services for 16,34-Deepoxy-16-hydroxyscytophycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.