短杆菌肽S
TL;DR: 短杆菌肽S (CAS 113-73-5) is a chemical compound with molecular formula C60H92N12O10 and molecular weight 1140.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
短杆菌肽S
(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-9,27-bis(3-aminopropyl)-3,21-dibenzyl-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: Gramicidin S, Gramicidin C, Gramicin S-A, Gramicidina S, Grammidin
| Molecular Formula | C60H92N12O10 |
|---|---|
| Molecular Weight | 1140.71 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 325.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 1140.7059 |
| Heavy Atoms | 82 |
| Complexity | 2020.0 |
Chemical Identifiers
| CAS Number | 113-73-5 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN)C(C)C)CC4=CC=CC=C4)CC(C)C)CCCN)C(C)C)CC5=CC=CC=C5 |
| InChIKey | IUAYMJGZBVDSGL-XNNAEKOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
短杆菌肽S (CAS 113-73-5), with molecular formula C60H92N12O10 and molecular weight 1140.71 g/mol. IUPAC: (3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-9,27-bis(3-aminopropyl)-3,21-dibenzyl-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 短杆菌肽S
Property Insights of 短杆菌肽S
The XLogP value of 4.6 indicates that 短杆菌肽S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 325.0 Ų indicates high polarity, suggesting 短杆菌肽S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 短杆菌肽S has 10 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 短杆菌肽S?
The CAS number of 短杆菌肽S is 113-73-5.
What is the molecular formula of 短杆菌肽S?
The molecular formula of 短杆菌肽S is C60H92N12O10.
What is the molecular weight of 短杆菌肽S?
The molecular weight of 短杆菌肽S is 1140.71 g/mol.
Where can I buy 短杆菌肽S?
You can request a quote for 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 短杆菌肽S?
Yes, KEHONG BIO provides custom synthesis services for 短杆菌肽S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.