Destruxin B1
TL;DR: Destruxin B1 (CAS 79386-01-9) is a chemical compound with molecular formula C31H53N5O7 and molecular weight 607.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,10S,13S,16S,19S)-3-butan-2-yl-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-hexone
Also Known As: Destruxin B1, Destruxin B, 1-L-2-piperidinecarboxylic acid-, (3R,10S,13S,16S,19S)-3,16-bis[(2S)-butan-2-yl]-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-hexone, (3R,10S,13S,16S,19S)-3-butan-2-yl-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-hexone, (3S,6S,9S,16R,22aS)-3-[(2S)-Butan-2-yl]-16-(butan-2-yl)-1,10-dihydroxy-5,8,9-trimethyl-6-(propan-2-yl)-3,5,6,8,9,12,13,19,20,21,22,22a-dodecahydro-4H-pyrido[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-4,7,14,17(16H)-tetrone
| Molecular Formula | C31H53N5O7 |
|---|---|
| Molecular Weight | 607.39 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 607.3945 |
| Heavy Atoms | 43 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 79386-01-9 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)O[C@@H](C(=O)N2CCCC[C@H]2C(=O)N1)C(C)CC)C)C)C(C)C)C |
| InChIKey | ZUCXDCRAVWYPSD-YAZLVPKGSA-N |
Product Overview
Destruxin B1 (CAS 79386-01-9), with molecular formula C31H53N5O7 and molecular weight 607.39 g/mol. IUPAC: (3R,10S,13S,16S,19S)-3-butan-2-yl-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-hexone.
Chemical Property Profile of Destruxin B1
Property Insights of Destruxin B1
The XLogP value of 3.2 indicates that Destruxin B1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting Destruxin B1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Destruxin B1 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Destruxin B1?
The CAS number of Destruxin B1 is 79386-01-9.
What is the molecular formula of Destruxin B1?
The molecular formula of Destruxin B1 is C31H53N5O7.
What is the molecular weight of Destruxin B1?
The molecular weight of Destruxin B1 is 607.39 g/mol.
Where can I buy Destruxin B1?
You can request a quote for Destruxin B1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Destruxin B1?
Yes, KEHONG BIO provides custom synthesis services for Destruxin B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.