海鞘酰胺B
TL;DR: 海鞘酰胺B (CAS 81098-23-9) is a chemical compound with molecular formula C38H48N8O6S2 and molecular weight 776.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
海鞘酰胺B
11-benzyl-4-butan-2-yl-7,21,25-trimethyl-18-(2-methylpropyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone
Also Known As: Patellamide B, 11-benzyl-4-(butan-2-yl)-7,21,25-trimethyl-18-(2-methylpropyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone, 6,20-Dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo(24.2.1.15,8.112,15.119,22)dotriaconta-5(32),12(31),14,19(30),26(29),28-hexaene-2,9,16,23-tetrone,7,11,21-trimethyl-18-((1S)-1-methylpropyl)-4-(2-methylpropyl)-25-(phenylmethyl)-, (4S,7R,8S,11R,18S,21R,22S,25R)-, Ulithiacyclamide, 1,15-de(dithiobis(methylene))-8,22-dide(2-methylpropyl)-8-methyl-15-(1-methylpropyl)-1-(2-methylpropyl)-22-(phenylmethyl)-, (1S,8R,15S(S),22R)-, 11-Benzyl-4-(butan-2-yl)-7,21,25-trimethyl-18-(2-methylpropyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.1~5,8~.1~12,15~.1~19,22~]dotriaconta-1(28),2,5(32),9,12(31),14,16,19(30),23,26(29)-decaene-2,9,16,23-tetrol
| Molecular Formula | C38H48N8O6S2 |
|---|---|
| Molecular Weight | 776.31 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 776.31384 |
| Heavy Atoms | 54 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 81098-23-9 |
|---|---|
| SMILES | CCC(C)C1C2=NC(C(O2)C)C(=O)NC(C3=NC(=CS3)C(=O)NC(C4=NC(C(O4)C)C(=O)NC(C5=NC(=CS5)C(=O)N1)C)CC(C)C)CC6=CC=CC=C6 |
| InChIKey | FDAPKNJHIHKHDM-UHFFFAOYSA-N |
Product Overview
海鞘酰胺B (CAS 81098-23-9), with molecular formula C38H48N8O6S2 and molecular weight 776.31 g/mol. IUPAC: 11-benzyl-4-butan-2-yl-7,21,25-trimethyl-18-(2-methylpropyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone.
Chemical Property Profile of 海鞘酰胺B
Property Insights of 海鞘酰胺B
The XLogP value of 5.3 indicates that Patellamide B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 242.0 Ų indicates high polarity, suggesting 海鞘酰胺B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Patellamide B has 4 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 Patellamide B?
The CAS number of Patellamide B is 81098-23-9.
What is the molecular formula of Patellamide B?
The molecular formula of Patellamide B is C38H48N8O6S2.
What is the molecular weight of Patellamide B?
The molecular weight of Patellamide B is 776.31 g/mol.
Where can I buy Patellamide B?
You can request a quote for Patellamide B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Patellamide B?
Yes, KEHONG BIO provides custom synthesis services for Patellamide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.