C31H37N011.ClH
TL;DR: C31H37N011.ClH (CAS 79951-58-9) is a chemical compound with molecular formula C31H38ClNO11 and molecular weight 635.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,9,11-trihydroxy-9-(1-hydroxyethyl)-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-, A-l-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione hydrochloride, 7,8,9,10-Tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione hydrochloride, 3,5,12-Trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(morpholin-4-yl)-alpha-L-lyxo-hexopyranoside--hydrogen chloride (1/1)
| Molecular Formula | C31H38ClNO11 |
|---|---|
| Molecular Weight | 635.21 g/mol |
| LogP | 1.62 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 635.2133 |
| Heavy Atoms | 44 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 79951-58-9 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(C)O)O)N6CCOCC6)O.Cl |
| InChIKey | XTDRCUHPNBBAQA-NIUDUESZSA-N |
Product Overview
C31H37N011.ClH (CAS 79951-58-9), with molecular formula C31H38ClNO11 and molecular weight 635.21 g/mol. IUPAC: 6,9,11-trihydroxy-9-(1-hydroxyethyl)-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of C31H37N011.ClH
Property Insights of C31H37N011.ClH
The XLogP value of 1.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C31H37N011.ClH. The TPSA of 175.0 Ų indicates high polarity, suggesting C31H37N011.ClH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C31H37N011.ClH has 6 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 C31H37N011.ClH?
The CAS number of C31H37N011.ClH is 79951-58-9.
What is the molecular formula of C31H37N011.ClH?
The molecular formula of C31H37N011.ClH is C31H38ClNO11.
What is the molecular weight of C31H37N011.ClH?
The molecular weight of C31H37N011.ClH is 635.21 g/mol.
Where can I buy C31H37N011.ClH?
You can request a quote for C31H37N011.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H37N011.ClH?
Yes, KEHONG BIO provides custom synthesis services for C31H37N011.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.