Pennigritrem
TL;DR: Pennigritrem (CAS 139682-30-7) is a chemical compound with molecular formula C37H44ClNO6 and molecular weight 633.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
23-chloro-11,11,17,18,35,35-hexamethyl-26-methylidene-7,10,13,34-tetraoxa-20-azaundecacyclo[27.4.2.02,18.05,17.06,8.06,14.09,12.019,33.021,32.024,31.027,30]pentatriaconta-19(33),21,23,31-tetraene-5,30-diol
Also Known As: Pennigritrem, 11-Chloro-1,1,7,7,14a,14b-hexamethyl-9-methylidene-1,2a,2b,5,5a,5b,7,7a,8,8a,9,10,14a,14b,15,16,16a,17a-octadecahydro-3bH-13,14-epiminobenzo[fg]cyclobuta[kl]indeno[1,2-d][3]benzoxocine-3b,10c(4H)-diol, 11-Chloro-1,1,7,7,14a,14b-hexamethyl-9-methylidene-1,2a,2b,5,5a,5b,7,7a,8,8a,9,10,14a,14b,15,16,16a,17a-octadecahydro-3bH-13,14-epiminobenzo[fg]cyclobuta[kl]oxeto[3'',2'':2',3']oxireno[4',4a'][1]benzopyrano[6',5':4,5]indeno[1,2-d][3]benzoxocine-3b,10c(4H)-diol, 6,7-(Epoxymethano)-5H-cyclobuta(5,6)benz(1,2- e)oxeto(3'',2'':2',3')oxireno(4',4'a)(1)benzopyrano(5',6':6,7)indeno(1,2-b)indole-3b,6d(4H,5aH)-diol, 11-chloro- 1,2a,2b,6,7,8,8a,9,10,13,13b,13c,14,15,15a,16a-hexadecahydro-1,1,13b,13c,17,17-hexamethyl-9-methylene-, (2aS-(2aalpha,2bbeta,3aR*,3balpha,5abeta,6beta,6dalpha,7alpha,8aalpha,13balpha,13cbeta,15aalpha,16aalpha))-
| Molecular Formula | C37H44ClNO6 |
|---|---|
| Molecular Weight | 633.29 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 633.2857 |
| Heavy Atoms | 45 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 139682-30-7 |
|---|---|
| SMILES | CC1(C2CC3C2(C4=C5C(=CC(=C4CC3=C)Cl)NC6=C5C(O1)C7C6(C8(CCC9C1(C8(CC7)O)C(O1)C1C(O9)C(O1)(C)C)C)C)O)C |
| InChIKey | HYLKKEXCEIKCIN-UHFFFAOYSA-N |
Product Overview
Pennigritrem (CAS 139682-30-7), with molecular formula C37H44ClNO6 and molecular weight 633.29 g/mol. IUPAC: 23-chloro-11,11,17,18,35,35-hexamethyl-26-methylidene-7,10,13,34-tetraoxa-20-azaundecacyclo[27.4.2.02,18.05,17.06,8.06,14.09,12.019,33.021,32.024,31.027,30]pentatriaconta-19(33),21,23,31-tetraene-5,30-diol.
Chemical Property Profile of Pennigritrem
Property Insights of Pennigritrem
The XLogP value of 3.5 indicates that Pennigritrem is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Pennigritrem. Following Lipinski's Rule of Five, Pennigritrem has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pennigritrem?
The CAS number of Pennigritrem is 139682-30-7.
What is the molecular formula of Pennigritrem?
The molecular formula of Pennigritrem is C37H44ClNO6.
What is the molecular weight of Pennigritrem?
The molecular weight of Pennigritrem is 633.29 g/mol.
Where can I buy Pennigritrem?
You can request a quote for Pennigritrem directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pennigritrem?
Yes, KEHONG BIO provides custom synthesis services for Pennigritrem and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.