TL;DR: Penitrem C (CAS 37318-84-6) is a chemical compound with molecular formula C37H44ClNO4 and molecular weight 601.2959 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
20-chloro-14,15,32,32-tetramethyl-23-methylidene-9-prop-1-en-2-yl-10,31-dioxa-17-azanonacyclo[24.4.2.02,15.05,14.06,11.016,30.018,29.021,28.024,27]dotriaconta-6,16(30),18,20,28-pentaene-5,8-diol
Also Known As: Penitrem C, 12-chloro-14b,14c,17,17-tetramethyl-10-methylidene-2-(prop-1-en-2-yl)-2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-4bh-7,8-(epoxymethano)chromeno[5',6':6,7]indeno[1,2-b]cyclobuta[5,6]benzo[1,2-e]indole-3,4b-diol, 12-Chloro-8,8,15a,15b-tetramethyl-10-methylidene-2-(prop-1-en-2-yl)-2,3,5,6,6a,6b,8,8a,9,9a,10,11,11c,15a,15b,16,17,17a-octadecahydro-4bH-14,15-epiminobenzo[fg][1]benzopyrano[6',5':4,5]indeno[1,2-d]cyclobuta[kl][3]benzoxocine-3,4b-diol, 20-Chloro-14,15,32,32-tetramethyl-23-methylidene-9-prop-1-en-2-yl-10,31-dioxa-17-azanonacyclo(24.4.2.02,15.05,14.06,11.016,30.018,29.021,28.024,27)dotriaconta-6,16(30),18,20,28-pentaene-5,8-diol, 20-chloro-14,15,32,32-tetramethyl-23-methylidene-9-prop-1-en-2-yl-10,31-dioxa-17-azanonacyclo[24.4.2.02,15.05,14.06,11.016,30.018,29.021,28.024,27]dotriaconta-6,16(30),18,20,28-pentaene-5,8-diol
| Molecular Formula | C37H44ClNO4 |
| Molecular Weight | 601.2959 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 601.2959 Da |
| Heavy Atoms | 43 |
| Complexity | 1330.0 |
| SMILES | CC(=C)C1C(C=C2C(O1)CCC3(C2(CCC4C3(C5=C6C4OC(C7CC8C7C9=C6C(=CC(=C9CC8=C)Cl)N5)(C)C)C)O)C)O |
| InChIKey | BVVRIERIEDMORG-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that Penitrem C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Penitrem C. Following Lipinski's Rule of Five, Penitrem C has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Penitrem C is 37318-84-6.
The molecular formula of Penitrem C is C37H44ClNO4.
The molecular weight of Penitrem C is 601.2959 g/mol.
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