帕泰拉胺B
TL;DR: 帕泰拉胺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.
帕泰拉胺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
帕泰拉胺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 帕泰拉胺B
Property Insights of 帕泰拉胺B
The XLogP value of 5.3 indicates that 帕泰拉胺B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 242.0 Ų indicates high polarity, suggesting 帕泰拉胺B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 帕泰拉胺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 帕泰拉胺B?
The CAS number of 帕泰拉胺B is 81098-23-9.
What is the molecular formula of 帕泰拉胺B?
The molecular formula of 帕泰拉胺B is C38H48N8O6S2.
What is the molecular weight of 帕泰拉胺B?
The molecular weight of 帕泰拉胺B is 776.31 g/mol.
Where can I buy 帕泰拉胺B?
You can request a quote for 帕泰拉胺B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 帕泰拉胺B?
Yes, KEHONG BIO provides custom synthesis services for 帕泰拉胺B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.