膜海鞘素 B
TL;DR: 膜海鞘素 B (CAS 77327-05-0) is a chemical compound with molecular formula C57H89N7O15 and molecular weight 1111.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
膜海鞘素 B
(2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide
Also Known As: Didemnin B, Nordidemnin, Didemnin, Didemnin A, NorD
| Molecular Formula | C57H89N7O15 |
|---|---|
| Molecular Weight | 1111.64 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Exact Mass | 1111.6417 |
| Heavy Atoms | 79 |
| Complexity | 2150.0 |
| Solubility | H2O < 0.1 (mg/mL) |
Chemical Identifiers
| CAS Number | 77327-05-0 |
|---|---|
| SMILES | CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O |
| InChIKey | KYHUYMLIVQFXRI-SJPGYWQQSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
膜海鞘素 B (CAS 77327-05-0), with molecular formula C57H89N7O15 and molecular weight 1111.64 g/mol. IUPAC: (2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide.
Chemical Property Profile of 膜海鞘素 B
Property Insights of 膜海鞘素 B
The XLogP value of 5.5 indicates that 膜海鞘素 B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 288.0 Ų indicates high polarity, suggesting 膜海鞘素 B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 膜海鞘素 B has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 膜海鞘素 B?
The CAS number of 膜海鞘素 B is 77327-05-0.
What is the molecular formula of 膜海鞘素 B?
The molecular formula of 膜海鞘素 B is C57H89N7O15.
What is the molecular weight of 膜海鞘素 B?
The molecular weight of 膜海鞘素 B is 1111.64 g/mol.
Where can I buy 膜海鞘素 B?
You can request a quote for 膜海鞘素 B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 膜海鞘素 B?
Yes, KEHONG BIO provides custom synthesis services for 膜海鞘素 B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.