(4,4'-二氨基丙酸)短杆菌肽S
TL;DR: (4,4'-二氨基丙酸)短杆菌肽S (CAS 87647-91-4) is a chemical compound with molecular formula C48H86N14O10 and molecular weight 1018.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4'-二氨基丙酸)短杆菌肽S
3,21-bis(aminomethyl)-9,27-bis(3-aminopropyl)-6,24-bis(2-methylpropyl)-12,30-di(propan-2-yl)-1,4,7,10,13,19,22,25,28,31-decazatricyclo[31.3.0.015,19]hexatriacontane-2,5,8,11,14,20,23,26,29,32-decone
Also Known As: 4,4'-Dpa-gramicidin S, (4,4'-Diaminopropionic acid)gramicidin S, Gramicidin S, 2-(3-amino-D-alanine)-7-(3-amino-D-alanine)-, RefChem:69431
| Molecular Formula | C48H86N14O10 |
|---|---|
| Molecular Weight | 1018.67 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 378.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 1018.66516 |
| Heavy Atoms | 72 |
| Complexity | 1770.0 |
Chemical Identifiers
| CAS Number | 87647-91-4 |
|---|---|
| SMILES | CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)CN)CC(C)C)CCCN)C(C)C)CN |
| InChIKey | IXGZZCOPHBFCLM-UHFFFAOYSA-N |
Product Overview
(4,4'-二氨基丙酸)短杆菌肽S (CAS 87647-91-4), with molecular formula C48H86N14O10 and molecular weight 1018.67 g/mol. IUPAC: 3,21-bis(aminomethyl)-9,27-bis(3-aminopropyl)-6,24-bis(2-methylpropyl)-12,30-di(propan-2-yl)-1,4,7,10,13,19,22,25,28,31-decazatricyclo[31.3.0.015,19]hexatriacontane-2,5,8,11,14,20,23,26,29,32-decone.
Chemical Property Profile of (4,4'-二氨基丙酸)短杆菌肽S
Property Insights of (4,4'-二氨基丙酸)短杆菌肽S
The XLogP value of -0.1 indicates that (4,4'-二氨基丙酸)短杆菌肽S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 378.0 Ų indicates high polarity, suggesting (4,4'-二氨基丙酸)短杆菌肽S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4,4'-二氨基丙酸)短杆菌肽S has 12 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 (4,4'-二氨基丙酸)短杆菌肽S?
The CAS number of (4,4'-二氨基丙酸)短杆菌肽S is 87647-91-4.
What is the molecular formula of (4,4'-二氨基丙酸)短杆菌肽S?
The molecular formula of (4,4'-二氨基丙酸)短杆菌肽S is C48H86N14O10.
What is the molecular weight of (4,4'-二氨基丙酸)短杆菌肽S?
The molecular weight of (4,4'-二氨基丙酸)短杆菌肽S is 1018.67 g/mol.
Where can I buy (4,4'-二氨基丙酸)短杆菌肽S?
You can request a quote for (4,4'-二氨基丙酸)短杆菌肽S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,4'-二氨基丙酸)短杆菌肽S?
Yes, KEHONG BIO provides custom synthesis services for (4,4'-二氨基丙酸)短杆菌肽S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.