Destruxin D1
TL;DR: Destruxin D1 (CAS 79385-98-1) is a chemical compound with molecular formula C31H51N5O9 and molecular weight 637.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosan-3-yl)-2-methylpropanoic acid
Also Known As: Destruxin D1, 3-(16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-1, 3-(16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosan-3-yl)-2-methylpropanoic acid, beta-Alanine, 4-carboxy-2-hydroxypentanoyl-2-piperidinecarbonyl-L-isoleucyl-N-methyl-L-valyl-N-methyl-L-alanyl-, (6->1)-lactone 5, 3-[3-(Butan-2-yl)-1,10-dihydroxy-5,8,9-trimethyl-4,7,14,17-tetraoxo-6-(propan-2-yl)-3,5,6,7,8,9,12,13,14,16,17,19,20,21,22,22a-hexadecahydro-4H-pyrido[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecin-16-yl]-2-methylpropanoic acid
| Molecular Formula | C31H51N5O9 |
|---|---|
| Molecular Weight | 637.37 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 637.36865 |
| Heavy Atoms | 45 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 79385-98-1 |
|---|---|
| SMILES | CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCCC2C(=O)N1)CC(C)C(=O)O)C)C)C(C)C)C |
| InChIKey | XTWWITLYEHFJBO-UHFFFAOYSA-N |
Product Overview
Destruxin D1 (CAS 79385-98-1), with molecular formula C31H51N5O9 and molecular weight 637.37 g/mol. IUPAC: 3-(16-butan-2-yl-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosan-3-yl)-2-methylpropanoic acid.
Chemical Property Profile of Destruxin D1
Property Insights of Destruxin D1
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Destruxin D1. The TPSA of 183.0 Ų indicates high polarity, suggesting Destruxin D1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Destruxin D1 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Destruxin D1?
The CAS number of Destruxin D1 is 79385-98-1.
What is the molecular formula of Destruxin D1?
The molecular formula of Destruxin D1 is C31H51N5O9.
What is the molecular weight of Destruxin D1?
The molecular weight of Destruxin D1 is 637.37 g/mol.
Where can I buy Destruxin D1?
You can request a quote for Destruxin D1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Destruxin D1?
Yes, KEHONG BIO provides custom synthesis services for Destruxin D1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.