heme O
TL;DR: heme O (CAS 137397-56-9) is a chemical compound with molecular formula C49H58FeN4O5 and molecular weight 838.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[18-(2-carboxylatoethyl)-7-ethenyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate;hydron;iron(2+)
Also Known As: heme O, 3-[18-(2-carboxylatoethyl)-7-ethenyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate;hydron;iron(2+), Ferrate(2-), (7-ethenyl-12-(1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrienyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen
| Molecular Formula | C49H58FeN4O5 |
|---|---|
| Molecular Weight | 838.38 g/mol |
| LogP | 8.90514 |
| Topological Polar Surface Area | 154.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 838.3757 |
| Heavy Atoms | 59 |
| Complexity | 2446.8938 |
Chemical Identifiers
| CAS Number | 137397-56-9 |
|---|---|
| SMILES | [H+].[H+].CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C)C(=C3CCC(=O)[O-])C)CCC(=O)[O-].[Fe+2] |
Product Overview
heme O (CAS 137397-56-9), with molecular formula C49H58FeN4O5 and molecular weight 838.38 g/mol. IUPAC: 3-[18-(2-carboxylatoethyl)-7-ethenyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate;hydron;iron(2+).
Chemical Property Profile of heme O
Property Insights of heme O
The XLogP value of 8.90514 indicates that heme O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.47 Ų indicates high polarity, suggesting heme O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, heme O has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of heme O?
The CAS number of heme O is 137397-56-9.
What is the molecular formula of heme O?
The molecular formula of heme O is C49H58FeN4O5.
What is the molecular weight of heme O?
The molecular weight of heme O is 838.38 g/mol.
Where can I buy heme O?
You can request a quote for heme O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for heme O?
Yes, KEHONG BIO provides custom synthesis services for heme O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.