penitrem D
TL;DR: penitrem D (CAS 78213-64-6) is a chemical compound with molecular formula C37H45NO4 and molecular weight 567.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,5S,8R,9R,11S,14R,15S,24S,26S,27S)-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(29),19,21(28)-pentaene-5,8-diol
Also Known As: penitrem D, (-)-Penitrem D, penitrem A, Penitrem D, (-)-, Penitrem A, 6-dechloro-23,24-deepoxy-23,24-didehydro-15-deoxy-
| Molecular Formula | C37H45NO4 |
|---|---|
| Molecular Weight | 567.33 g/mol |
| LogP | 6.6931 |
| Topological Polar Surface Area | 74.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 567.33484 |
| Heavy Atoms | 42 |
| Complexity | 1646.1589 |
Chemical Identifiers
| CAS Number | 78213-64-6 |
|---|---|
| SMILES | CC(=C)[C@@H]1[C@@H](C=C2[C@@H](O1)CC[C@]3([C@]2(CC[C@@H]4[C@@]3(C5=C6[C@H]4OC([C@H]7C[C@H]8[C@@H]7C9=C(CC8=C)C=CC(=C96)N5)(C)C)C)O)C)O |
Product Overview
penitrem D (CAS 78213-64-6), with molecular formula C37H45NO4 and molecular weight 567.33 g/mol. IUPAC: (1S,2R,5S,8R,9R,11S,14R,15S,24S,26S,27S)-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(29),19,21(28)-pentaene-5,8-diol.
Chemical Property Profile of penitrem D
Property Insights of penitrem D
The XLogP value of 6.6931 indicates that penitrem D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.71 Ų falls within the moderate polarity range, balancing permeability and solubility for penitrem D. Following Lipinski's Rule of Five, penitrem D has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of penitrem D?
The CAS number of penitrem D is 78213-64-6.
What is the molecular formula of penitrem D?
The molecular formula of penitrem D is C37H45NO4.
What is the molecular weight of penitrem D?
The molecular weight of penitrem D is 567.33 g/mol.
Where can I buy penitrem D?
You can request a quote for penitrem D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for penitrem D?
Yes, KEHONG BIO provides custom synthesis services for penitrem D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.