Clavariopsin B
TL;DR: Clavariopsin B (CAS 227083-48-9) is a chemical compound with molecular formula C58H93N9O14 and molecular weight 1139.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-bis[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-10,16,19,22-tetramethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-3,9,24,27-tetra(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetic acid
Also Known As: Clavariopsin B, HY-N14961, J1.457.990G, 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-bis[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-10,16,19,22-tetramethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-3,9,24,27-tetra(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetic acid, 2-{(4S,7S,10S,13S,16S,22S,25S,28R)-3,6,9,12,15,18,21,24,30-Nonaaza-13,16-bis((1S)-1-methylpropyl)-25-[(4-methoxyphenyl)methyl]-9,12,15,21-tetramethyl-27-oxa-2,5,8,11,14,17,20,23,26,29-decaoxo-4,7,22,28-tetrakis(methylethyl)bicyclo[28.4.0]tetratriacont-10-yl}acetic acid
| Molecular Formula | C58H93N9O14 |
|---|---|
| Molecular Weight | 1139.68 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 291.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 1139.6842 |
| Heavy Atoms | 81 |
| Complexity | 2220.0 |
Chemical Identifiers
| CAS Number | 227083-48-9 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=O)NCC(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N2CCCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)[C@@H](C)CC)C)CC(=O)O)C)C(C)C)C(C)C)C(C)C)CC3=CC=C(C=C3)OC)C(C)C)C |
| InChIKey | KPXBYWFZMMXFTN-RKXBODORSA-N |
Product Overview
Clavariopsin B (CAS 227083-48-9), with molecular formula C58H93N9O14 and molecular weight 1139.68 g/mol. IUPAC: 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-bis[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-10,16,19,22-tetramethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-3,9,24,27-tetra(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetic acid.
Chemical Property Profile of Clavariopsin B
Property Insights of Clavariopsin B
The XLogP value of 6.2 indicates that Clavariopsin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 291.0 Ų indicates high polarity, suggesting Clavariopsin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Clavariopsin B has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Clavariopsin B?
The CAS number of Clavariopsin B is 227083-48-9.
What is the molecular formula of Clavariopsin B?
The molecular formula of Clavariopsin B is C58H93N9O14.
What is the molecular weight of Clavariopsin B?
The molecular weight of Clavariopsin B is 1139.68 g/mol.
Where can I buy Clavariopsin B?
You can request a quote for Clavariopsin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clavariopsin B?
Yes, KEHONG BIO provides custom synthesis services for Clavariopsin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.