Jaborochlorodiol
TL;DR: Jaborochlorodiol (CAS 135293-24-2) is a chemical compound with molecular formula C28H35ClO6 and molecular weight 502.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,4S,10R,11S,13R,15S,16R,17S,20S)-4-chloro-15-[(2R)-3,4-dimethyl-5-oxo-2H-furan-2-yl]-13,17-dihydroxy-10,16,20-trimethyl-14-oxapentacyclo[11.6.1.02,11.05,10.017,20]icosa-5,7-dien-9-one
Also Known As: Jaborochlorodiol, (1S,2R,4S,10R,11S,13R,15S,16R,17S,20S)-4-chloro-15-[(2R)-3,4-dimethyl-5-oxo-2H-furan-2-yl]-13,17-dihydroxy-10,16,20-trimethyl-14-oxapentacyclo[11.6.1.02,11.05,10.017,20]icosa-5,7-dien-9-one, 6-Chloro-12,17-dihydroxy-12,22:23,26-diepoxyergosta-2,4,24-triene-1,26-dione, (22S,23R)-6alpha-Chloro-12alpha,17-dihydroxy-17alpha-12,22:23,26-diepoxyergosta-2,4,24-triene-1,26-dione, (6alpha,12beta,22S,23R)-6-chloro-12,17-dihydroxy-12,22:23,26-diepoxyergosta-2,4,24-triene-1,26-dionato
| Molecular Formula | C28H35ClO6 |
|---|---|
| Molecular Weight | 502.21 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 502.21222 |
| Heavy Atoms | 35 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 135293-24-2 |
|---|---|
| SMILES | C[C@@H]1[C@H](O[C@@]2(C[C@H]3[C@@H](C[C@@H](C4=CC=CC(=O)[C@]34C)Cl)[C@H]5[C@]2([C@@]1(CC5)O)C)O)[C@H]6C(=C(C(=O)O6)C)C |
| InChIKey | KAXRCKJURNMODO-KKTIOXCDSA-N |
Product Overview
Jaborochlorodiol (CAS 135293-24-2), with molecular formula C28H35ClO6 and molecular weight 502.21 g/mol. IUPAC: (1S,2R,4S,10R,11S,13R,15S,16R,17S,20S)-4-chloro-15-[(2R)-3,4-dimethyl-5-oxo-2H-furan-2-yl]-13,17-dihydroxy-10,16,20-trimethyl-14-oxapentacyclo[11.6.1.02,11.05,10.017,20]icosa-5,7-dien-9-one.
Chemical Property Profile of Jaborochlorodiol
Property Insights of Jaborochlorodiol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Jaborochlorodiol. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Jaborochlorodiol. Following Lipinski's Rule of Five, Jaborochlorodiol has 2 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 Jaborochlorodiol?
The CAS number of Jaborochlorodiol is 135293-24-2.
What is the molecular formula of Jaborochlorodiol?
The molecular formula of Jaborochlorodiol is C28H35ClO6.
What is the molecular weight of Jaborochlorodiol?
The molecular weight of Jaborochlorodiol is 502.21 g/mol.
Where can I buy Jaborochlorodiol?
You can request a quote for Jaborochlorodiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jaborochlorodiol?
Yes, KEHONG BIO provides custom synthesis services for Jaborochlorodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.