Sanglifehrin D
TL;DR: Sanglifehrin D (CAS 187148-16-9) is a chemical compound with molecular formula C61H91N5O12 and molecular weight 1085.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S,9R,12S,14R,15S,16S,17E,19E,22S,25S)-22-[(2E,4E,8S,9S)-10-[(2S,3R,6R,9S,11S)-9-ethyl-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undec-4-en-2-yl]-9-hydroxy-8-methyldeca-2,4-dien-2-yl]-16-hydroxy-3-[(3-hydroxyphenyl)methyl]-12-methoxy-12,15-dimethyl-6-propan-2-yl-13,23-dioxa-1,4,7,29-tetrazatricyclo[23.3.1.09,14]nonacosa-17,19-diene-2,5,8,24-tetrone
Also Known As: Sanglifehrin D, (3S,6S,9R,12S,14R,15S,16S,17E,19E,22S,25S)-22-((2E,4E,8S,9S)-10-((2S,3R,6R,9S,11S)-9-ethyl-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro(5.5)undec-4-en-2-yl)-9-hydroxy-8-methyldeca-2,4-dien-2-yl)-16-hydroxy-3-((3-hydroxyphenyl)methyl)-12-methoxy-12,15-dimethyl-6-propan-2-yl-13,23-dioxa-1,4,7,29-tetrazatricyclo(23.3.1.09,14)nonacosa-17,19-diene-2,5,8,24-tetrone, (3S,6S,9R,12S,14R,15S,16S,17E,19E,22S,25S)-22-[(2E,4E,8S,9S)-10-[(2S,3R,6R,9S,11S)-9-Ethyl-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undec-4-en-2-yl]-9-hydroxy-8-methyldeca-2,4-dien-2-yl]-16-hydroxy-3-[(3-hydroxyphenyl)methyl]-12-methoxy-12,15-dimethyl-6-propan-2-yl-13,23-dioxa-1,4,7,29-tetrazatricyclo[23.3.1.09,14]nonacosa-17,19-diene-2,5,8,24-tetrone
| Molecular Formula | C61H91N5O12 |
|---|---|
| Molecular Weight | 1085.67 g/mol |
| LogP | 7.1681 |
| Topological Polar Surface Area | 234.32 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 1085.6664 |
| Heavy Atoms | 78 |
| Complexity | 2403.0276 |
Chemical Identifiers
| CAS Number | 187148-16-9 |
|---|---|
| SMILES | CC[C@H]1C[C@@H]([C@@]2(C(=C[C@H]([C@@H](O2)C[C@@H]([C@@H](C)CC/C=C/C=C(\C)/[C@@H]3C/C=C/C=C/[C@@H]([C@@H]([C@@H]4[C@@H](CC[C@@](O4)(C)OC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N5CCC[C@H](N5)C(=O)O3)CC6=CC(=CC=C6)O)C(C)C)C)O)O)C)C)NC1=O)C |
Product Overview
Sanglifehrin D (CAS 187148-16-9), with molecular formula C61H91N5O12 and molecular weight 1085.67 g/mol. IUPAC: (3S,6S,9R,12S,14R,15S,16S,17E,19E,22S,25S)-22-[(2E,4E,8S,9S)-10-[(2S,3R,6R,9S,11S)-9-ethyl-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undec-4-en-2-yl]-9-hydroxy-8-methyldeca-2,4-dien-2-yl]-16-hydroxy-3-[(3-hydroxyphenyl)methyl]-12-methoxy-12,15-dimethyl-6-propan-2-yl-13,23-dioxa-1,4,7,29-tetrazatricyclo[23.3.1.09,14]nonacosa-17,19-diene-2,5,8,24-tetrone.
Chemical Property Profile of Sanglifehrin D
Property Insights of Sanglifehrin D
The XLogP value of 7.1681 indicates that Sanglifehrin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 234.32 Ų indicates high polarity, suggesting Sanglifehrin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sanglifehrin D has 7 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 Sanglifehrin D?
The CAS number of Sanglifehrin D is 187148-16-9.
What is the molecular formula of Sanglifehrin D?
The molecular formula of Sanglifehrin D is C61H91N5O12.
What is the molecular weight of Sanglifehrin D?
The molecular weight of Sanglifehrin D is 1085.67 g/mol.
Where can I buy Sanglifehrin D?
You can request a quote for Sanglifehrin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sanglifehrin D?
Yes, KEHONG BIO provides custom synthesis services for Sanglifehrin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.